Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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Thermo Scientific™ Iodoacetamido-LC-Phosphonic Acid (6C-CysPAT)

Iodoacetamido-LC-Phosphonic Acid (6C-CysPAT) is a sulfhydryl-reactive alkylating reagent that contains a phosphonic acid group for enrichment of cysteine-containing peptides for mass spectrometry analysis.

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Diisopropyl cyanomethylphosphonate, 97%

CAS: 21658-95-7 Molecular Formula: C8H16NO3P Molecular Weight (g/mol): 205.194 MDL Number: MFCD00009812 InChI Key: MQDIIJHQSUNBKA-UHFFFAOYSA-N Synonym: diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester PubChem CID: 88997 IUPAC Name: 2-di(propan-2-yloxy)phosphorylacetonitrile SMILES: CC(C)OP(=O)(CC#N)OC(C)C

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PubChem CID	88997
CAS	21658-95-7
Molecular Weight (g/mol)	205.194
MDL Number	MFCD00009812
SMILES	CC(C)OP(=O)(CC#N)OC(C)C
Synonym	diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester
IUPAC Name	2-di(propan-2-yloxy)phosphorylacetonitrile
InChI Key	MQDIIJHQSUNBKA-UHFFFAOYSA-N
Molecular Formula	C8H16NO3P

Thermo Scientific Chemicals Diethyl (aminomethyl)phosphonate oxalate, 95%

CAS: 117196-73-3 Molecular Formula: C₅H₁₄NO₃P·C₂H₂O₄ Molecular Weight (g/mol): 257.18 MDL Number: MFCD00800255 InChI Key: OVHZWLGNOJBTDI-UHFFFAOYSA-N Synonym: diethyl aminomethyl phosphonate oxalate,diethoxyphosphorylmethanamine; oxalic acid,diethyl aminomethyl phosphonate oxalate salt,phosphonic acid, p-aminomethyl-, diethyl ester, ethanedioate 1:1,phosphonic acid, aminomethyl-, diethyl ester, ethanedioate 1:1,acmc-20mn2b,diethyl aminomethylphosphonate oxalate,oxalic acid diethyl aminomethylphosphonate,diethyl aminomethyl phosphonate ethanedioate PubChem CID: 2733594 IUPAC Name: diethoxyphosphorylmethanamine;oxalic acid SMILES: CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O

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PubChem CID	2733594
CAS	117196-73-3
Molecular Weight (g/mol)	257.18
MDL Number	MFCD00800255
SMILES	CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O
Synonym	diethyl aminomethyl phosphonate oxalate,diethoxyphosphorylmethanamine; oxalic acid,diethyl aminomethyl phosphonate oxalate salt,phosphonic acid, p-aminomethyl-, diethyl ester, ethanedioate 1:1,phosphonic acid, aminomethyl-, diethyl ester, ethanedioate 1:1,acmc-20mn2b,diethyl aminomethylphosphonate oxalate,oxalic acid diethyl aminomethylphosphonate,diethyl aminomethyl phosphonate ethanedioate
IUPAC Name	diethoxyphosphorylmethanamine;oxalic acid
InChI Key	OVHZWLGNOJBTDI-UHFFFAOYSA-N
Molecular Formula	C₅H₁₄NO₃P·C₂H₂O₄

Diethyl 1-decylphosphonate, 97%

CAS: 16165-68-7 Molecular Formula: C14H31O3P Molecular Weight (g/mol): 278.373 MDL Number: MFCD00015593 InChI Key: HYQXIVAZQBYBAF-UHFFFAOYSA-N Synonym: diethyl 1-decylphosphonate,diethyl decylphosphonate,decylphosphonic acid diethyl ester,decyldiethoxyphosphino-1-one,acmc-20al9l,diethyl n-decanephosphonate,diethyl 1-decanephosphonate,diethyl 1-decyl phosphonate,decyl-phosphonic acid diethyl ester,n-decylphosphonic acid diethyl ester PubChem CID: 2773697 IUPAC Name: 1-diethoxyphosphoryldecane SMILES: CCCCCCCCCCP(=O)(OCC)OCC

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Specifications

PubChem CID	2773697
CAS	16165-68-7
Molecular Weight (g/mol)	278.373
MDL Number	MFCD00015593
SMILES	CCCCCCCCCCP(=O)(OCC)OCC
Synonym	diethyl 1-decylphosphonate,diethyl decylphosphonate,decylphosphonic acid diethyl ester,decyldiethoxyphosphino-1-one,acmc-20al9l,diethyl n-decanephosphonate,diethyl 1-decanephosphonate,diethyl 1-decyl phosphonate,decyl-phosphonic acid diethyl ester,n-decylphosphonic acid diethyl ester
IUPAC Name	1-diethoxyphosphoryldecane
InChI Key	HYQXIVAZQBYBAF-UHFFFAOYSA-N
Molecular Formula	C14H31O3P

Propylenediphosphonic acid, 98+%

CAS: 4671-82-3 Molecular Formula: C3H10O6P2 Molecular Weight (g/mol): 204.055 MDL Number: MFCD00050066 InChI Key: DZQCAOQMXPROIJ-UHFFFAOYSA-N Synonym: propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid PubChem CID: 22023450 IUPAC Name: 1-phosphonopropan-2-ylphosphonic acid SMILES: CC(CP(=O)(O)O)P(=O)(O)O

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PubChem CID	22023450
CAS	4671-82-3
Molecular Weight (g/mol)	204.055
MDL Number	MFCD00050066
SMILES	CC(CP(=O)(O)O)P(=O)(O)O
Synonym	propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid
IUPAC Name	1-phosphonopropan-2-ylphosphonic acid
InChI Key	DZQCAOQMXPROIJ-UHFFFAOYSA-N
Molecular Formula	C3H10O6P2

Diisopropyl methylphosphonate, 95%, Thermo Scientific Chemicals

CAS: 1445-75-6 Molecular Formula: C7H17O3P Molecular Weight (g/mol): 180.18 MDL Number: MFCD00015022 InChI Key: WOAFDHWYKSOANX-UHFFFAOYSA-N Synonym: diisopropyl methylphosphonate,diisopropyl methanephosphonate,bis 1-methylethyl methylphosphonate,unii-56v3og5dc7,methylphosphonic acid diisopropyl ester,phosphonic acid, methyl-, bis 1-methylethyl ester,phosphonic acid, methyl-, diisopropyl ester,methylphosphonic acid bis 1-methylethyl ester,dsstox_cid_4051,dsstox_rid_77269 PubChem CID: 3073 ChEBI: CHEBI:77325 IUPAC Name: 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane SMILES: CC(C)OP(C)(=O)OC(C)C

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Specifications

PubChem CID	3073
CAS	1445-75-6
Molecular Weight (g/mol)	180.18
ChEBI	CHEBI:77325
MDL Number	MFCD00015022
SMILES	CC(C)OP(C)(=O)OC(C)C
Synonym	diisopropyl methylphosphonate,diisopropyl methanephosphonate,bis 1-methylethyl methylphosphonate,unii-56v3og5dc7,methylphosphonic acid diisopropyl ester,phosphonic acid, methyl-, bis 1-methylethyl ester,phosphonic acid, methyl-, diisopropyl ester,methylphosphonic acid bis 1-methylethyl ester,dsstox_cid_4051,dsstox_rid_77269
IUPAC Name	2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
InChI Key	WOAFDHWYKSOANX-UHFFFAOYSA-N
Molecular Formula	C7H17O3P

Tetramethyl methylenediphosphonate, 98+%

CAS: 16001-93-7 Molecular Formula: C5H14O6P2 Molecular Weight (g/mol): 232.109 MDL Number: MFCD00014884 InChI Key: XAVFZUKFLWOSOS-UHFFFAOYSA-N Synonym: tetramethyl methylenediphosphonate,bis dimethoxyphosphoryl methane,tetramethyl methylenebis phosphonate,phosphonic acid, methylenebis-, tetramethyl ester,acmc-20ajjd,tetramethyl methanebisphosphonate,tetramethyl-methylenediphosphonate,tetramethyl methylenebisphosphonate,methylenebis phosphonic acid dimethyl ester,methylenediphosphonic acid tetramethyl ester PubChem CID: 519206 IUPAC Name: bis(dimethoxyphosphoryl)methane SMILES: COP(=O)(CP(=O)(OC)OC)OC

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Specifications

PubChem CID	519206
CAS	16001-93-7
Molecular Weight (g/mol)	232.109
MDL Number	MFCD00014884
SMILES	COP(=O)(CP(=O)(OC)OC)OC
Synonym	tetramethyl methylenediphosphonate,bis dimethoxyphosphoryl methane,tetramethyl methylenebis phosphonate,phosphonic acid, methylenebis-, tetramethyl ester,acmc-20ajjd,tetramethyl methanebisphosphonate,tetramethyl-methylenediphosphonate,tetramethyl methylenebisphosphonate,methylenebis phosphonic acid dimethyl ester,methylenediphosphonic acid tetramethyl ester
IUPAC Name	bis(dimethoxyphosphoryl)methane
InChI Key	XAVFZUKFLWOSOS-UHFFFAOYSA-N
Molecular Formula	C5H14O6P2

Di-n-octyl phenylphosphonate, 97%

CAS: 1754-47-8 Molecular Formula: C22H39O3P Molecular Weight (g/mol): 382.53 MDL Number: MFCD00009561 InChI Key: HAKMAMKAFTZXOZ-UHFFFAOYSA-N Synonym: dioctyl phenylphosphonate,di-n-octyl phenylphosphonate,dioctylphenylphosphonate,phenylphosphonic acid dioctyl ester,benzenephosphonic acid, dioctyl ester,di-n-octyl phenyl phosphonate,dioctyl phenyl phosphonate,phosphonic acid, phenyl-, dioctyl ester,phosphonic acid, p-phenyl-, dioctyl ester,di-n-octylphenylphosphonat PubChem CID: 15641 IUPAC Name: dioctoxyphosphorylbenzene SMILES: CCCCCCCCOP(=O)(OCCCCCCCC)C1=CC=CC=C1

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Specifications

PubChem CID	15641
CAS	1754-47-8
Molecular Weight (g/mol)	382.53
MDL Number	MFCD00009561
SMILES	CCCCCCCCOP(=O)(OCCCCCCCC)C1=CC=CC=C1
Synonym	dioctyl phenylphosphonate,di-n-octyl phenylphosphonate,dioctylphenylphosphonate,phenylphosphonic acid dioctyl ester,benzenephosphonic acid, dioctyl ester,di-n-octyl phenyl phosphonate,dioctyl phenyl phosphonate,phosphonic acid, phenyl-, dioctyl ester,phosphonic acid, p-phenyl-, dioctyl ester,di-n-octylphenylphosphonat
IUPAC Name	dioctoxyphosphorylbenzene
InChI Key	HAKMAMKAFTZXOZ-UHFFFAOYSA-N
Molecular Formula	C22H39O3P

Tetraisopropyl methylenediphosphonate, 98%

CAS: 1660-95-3 Molecular Formula: C13H30O6P2 Molecular Weight (g/mol): 344.325 MDL Number: MFCD00015021 InChI Key: ODTQUKVFOLFLIQ-UHFFFAOYSA-N Synonym: tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 PubChem CID: 74266 IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

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Specifications

PubChem CID	74266
CAS	1660-95-3
Molecular Weight (g/mol)	344.325
MDL Number	MFCD00015021
SMILES	CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
Synonym	tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847
IUPAC Name	2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
InChI Key	ODTQUKVFOLFLIQ-UHFFFAOYSA-N
Molecular Formula	C13H30O6P2

Diethyl phenylthiomethylphosphonate, 96%

CAS: 38066-16-9 Molecular Formula: C11H17O3PS Molecular Weight (g/mol): 260.288 MDL Number: MFCD00015130 InChI Key: FBUXEPJJFVDUFE-UHFFFAOYSA-N Synonym: diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # PubChem CID: 99227 IUPAC Name: diethoxyphosphorylmethylsulfanylbenzene SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC

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Specifications

PubChem CID	99227
CAS	38066-16-9
Molecular Weight (g/mol)	260.288
MDL Number	MFCD00015130
SMILES	CCOP(=O)(CSC1=CC=CC=C1)OCC
Synonym	diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate #
IUPAC Name	diethoxyphosphorylmethylsulfanylbenzene
InChI Key	FBUXEPJJFVDUFE-UHFFFAOYSA-N
Molecular Formula	C11H17O3PS

Diethyl iodomethylphosphonate, 98+%

CAS: 10419-77-9 Molecular Formula: C5H12IO3P Molecular Weight (g/mol): 278.03 MDL Number: MFCD00041386 InChI Key: PNFHTBDRPOJJTQ-UHFFFAOYSA-N Synonym: diethyl iodomethylphosphonate,diethyl iodomethyl phosphonate,phosphonic acid, iodomethyl-, diethyl ester,acmc-20al8r,diethyliodomethylphosphonate,diethyl iodomethanephosphonate,iodomethylphosphonic acid diethyl ester,diethyl iodomethylphosphonate 5g,iodomethyl-phosphonic acid diethyl ester PubChem CID: 82616 IUPAC Name: 1-[ethoxy(iodomethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(CI)OCC

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Specifications

PubChem CID	82616
CAS	10419-77-9
Molecular Weight (g/mol)	278.03
MDL Number	MFCD00041386
SMILES	CCOP(=O)(CI)OCC
Synonym	diethyl iodomethylphosphonate,diethyl iodomethyl phosphonate,phosphonic acid, iodomethyl-, diethyl ester,acmc-20al8r,diethyliodomethylphosphonate,diethyl iodomethanephosphonate,iodomethylphosphonic acid diethyl ester,diethyl iodomethylphosphonate 5g,iodomethyl-phosphonic acid diethyl ester
IUPAC Name	1-[ethoxy(iodomethyl)phosphoryl]oxyethane
InChI Key	PNFHTBDRPOJJTQ-UHFFFAOYSA-N
Molecular Formula	C5H12IO3P

Benzylphosphonic acid, 97%

CAS: 6881-57-8 Molecular Formula: C7H7O3P Molecular Weight (g/mol): 170.11 MDL Number: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonym: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1

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Specifications

PubChem CID	81312
CAS	6881-57-8
Molecular Weight (g/mol)	170.11
MDL Number	MFCD00039519
SMILES	[O-]P([O-])(=O)CC1=CC=CC=C1
Synonym	benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2
IUPAC Name	benzylphosphonic acid
InChI Key	OGBVRMYSNSKIEF-UHFFFAOYSA-L
Molecular Formula	C7H7O3P

Triethyl phosphonoacetate, 98+%

CAS: 867-13-0 Molecular Formula: C8H17O5P Molecular Weight (g/mol): 224.193 MDL Number: MFCD00009177 InChI Key: GGUBFICZYGKNTD-UHFFFAOYSA-N Synonym: triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate PubChem CID: 13345 IUPAC Name: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

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Specifications

PubChem CID	13345
CAS	867-13-0
Molecular Weight (g/mol)	224.193
MDL Number	MFCD00009177
SMILES	CCOC(=O)CP(=O)(OCC)OCC
Synonym	triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate
IUPAC Name	ethyl 2-diethoxyphosphorylacetate
InChI Key	GGUBFICZYGKNTD-UHFFFAOYSA-N
Molecular Formula	C8H17O5P

Diethyl methylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 683-08-9 Molecular Formula: C5H13O3P Molecular Weight (g/mol): 152.13 MDL Number: MFCD00009813 InChI Key: NYYLZXREFNYPKB-UHFFFAOYSA-N Synonym: diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h PubChem CID: 12685 IUPAC Name: 1-[ethoxy(methyl)phosphoryl]oxyethane SMILES: CCOP(C)(=O)OCC

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Specifications

PubChem CID	12685
CAS	683-08-9
Molecular Weight (g/mol)	152.13
MDL Number	MFCD00009813
SMILES	CCOP(C)(=O)OCC
Synonym	diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h
IUPAC Name	1-[ethoxy(methyl)phosphoryl]oxyethane
InChI Key	NYYLZXREFNYPKB-UHFFFAOYSA-N
Molecular Formula	C5H13O3P

1-Decylphosphonic acid, 98%

CAS: 6874-60-8 Molecular Formula: C10H23O3P Molecular Weight (g/mol): 222.265 MDL Number: MFCD00015830 InChI Key: DZQISOJKASMITI-UHFFFAOYSA-N Synonym: decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv PubChem CID: 81309 IUPAC Name: decylphosphonic acid SMILES: CCCCCCCCCCP(=O)(O)O

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Specifications

PubChem CID	81309
CAS	6874-60-8
Molecular Weight (g/mol)	222.265
MDL Number	MFCD00015830
SMILES	CCCCCCCCCCP(=O)(O)O
Synonym	decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv
IUPAC Name	decylphosphonic acid
InChI Key	DZQISOJKASMITI-UHFFFAOYSA-N
Molecular Formula	C10H23O3P

Organic phosphonic acids and derivatives

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