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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
Carboxylic acids and derivatives (35)
Organic phosphoric acids and derivatives (10)
Organic sulfonic acids and derivatives (8)
Acrylic acids and derivatives (4)
Boronic acid derivatives (4)
Organic phosphonic acids and derivatives (3)
Carbothioic Derivatives (2)
Organic sulfuric acids and derivatives (2)
Vinylogous acids (2)

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1

LiChropur™ Sodium octyl sulfate , ≥99.0% (T), MilliporeSigma™ Supelco™

MDL Number: MFCD00007470 Synonym: Octyl sulfate sodium salt

MDL Number MFCD00007470
Synonym Octyl sulfate sodium salt
2
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Fumonisin B2, 96+%

CAS: 116355-84-1 Molecular Formula: C34H59NO14·3H2O Molecular Weight (g/mol): 759.9 InChI Key: UXDPXZQHTDAXOZ-FWPUDPCBSA-N Synonym: fumonisin b2,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid PubChem CID: 71317007 IUPAC Name: (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid SMILES: CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

PubChem CID 71317007
CAS 116355-84-1
Molecular Weight (g/mol) 759.9
SMILES CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
Synonym fumonisin b2,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid
IUPAC Name (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
InChI Key UXDPXZQHTDAXOZ-FWPUDPCBSA-N
Molecular Formula C34H59NO14·3H2O
3
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Cyclobutanecarboxylic acid, 97%

CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1

PubChem CID 19494
CAS 3721-95-7
Molecular Weight (g/mol) 100.12
MDL Number MFCD00001323
SMILES OC(=O)C1CCC1
Synonym cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid
IUPAC Name cyclobutanecarboxylic acid
InChI Key TXWOGHSRPAYOML-UHFFFAOYSA-N
Molecular Formula C5H8O2
4
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tert-Butyl cyanoacetate, 98%

CAS: 1116-98-9 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00001938 InChI Key: BFNYNEMRWHFIMR-UHFFFAOYSA-N Synonym: tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate PubChem CID: 70693 IUPAC Name: tert-butyl 2-cyanoacetate SMILES: CC(C)(C)OC(=O)CC#N

PubChem CID 70693
CAS 1116-98-9
Molecular Weight (g/mol) 141.17
MDL Number MFCD00001938
SMILES CC(C)(C)OC(=O)CC#N
Synonym tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate
IUPAC Name tert-butyl 2-cyanoacetate
InChI Key BFNYNEMRWHFIMR-UHFFFAOYSA-N
Molecular Formula C7H11NO2
5
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Benzamide, 99%

CAS: 55-21-0 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00007968 InChI Key: KXDAEFPNCMNJSK-UHFFFAOYSA-N Synonym: benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide PubChem CID: 2331 ChEBI: CHEBI:28179 IUPAC Name: benzamide SMILES: C1=CC=C(C=C1)C(=O)N

PubChem CID 2331
CAS 55-21-0
Molecular Weight (g/mol) 121.14
ChEBI CHEBI:28179
MDL Number MFCD00007968
SMILES C1=CC=C(C=C1)C(=O)N
Synonym benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide
IUPAC Name benzamide
InChI Key KXDAEFPNCMNJSK-UHFFFAOYSA-N
Molecular Formula C7H7NO
6

Acetic acid, glacial, 99+%

CAS: 64-19-7 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00036152 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N Synonym: ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure PubChem CID: 176 ChEBI: CHEBI:15366 IUPAC Name: acetic acid SMILES: CC(O)=O

PubChem CID 176
CAS 64-19-7
Molecular Weight (g/mol) 60.05
ChEBI CHEBI:15366
MDL Number MFCD00036152
SMILES CC(O)=O
Synonym ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure
IUPAC Name acetic acid
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-N
Molecular Formula C2H4O2
7
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Fumonisin B1, 96%

CAS: 116355-83-0 Molecular Formula: C34H59NO15 Molecular Weight (g/mol): 721.8 MDL Number: MFCD00133349 InChI Key: UVBUBMSSQKOIBE-UWCNXKJPSA-N Synonym: macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid PubChem CID: 16760030 IUPAC Name: (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid SMILES: CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

PubChem CID 16760030
CAS 116355-83-0
Molecular Weight (g/mol) 721.8
MDL Number MFCD00133349
SMILES CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
Synonym macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid
IUPAC Name (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
InChI Key UVBUBMSSQKOIBE-UWCNXKJPSA-N
Molecular Formula C34H59NO15
8
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Dimethyl maleate, 96%

CAS: 624-48-6 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD00008459 InChI Key: LDCRTTXIJACKKU-ARJAWSKDSA-N Synonym: dimethyl maleate,maleic acid, dimethyl ester,methyl maleate,sipomer dmm,maleic acid dimethyl ester,dimethyl cis-butenedioate,2-butenedioic acid z-, dimethyl ester,dimethyl cis-ethylenedicarboxylate,2-butenedioic acid 2z-, dimethyl ester,2-butenedioic acid, dimethyl ester, z PubChem CID: 5271565 ChEBI: CHEBI:35460 IUPAC Name: dimethyl (Z)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC

PubChem CID 5271565
CAS 624-48-6
Molecular Weight (g/mol) 144.126
ChEBI CHEBI:35460
MDL Number MFCD00008459
SMILES COC(=O)C=CC(=O)OC
Synonym dimethyl maleate,maleic acid, dimethyl ester,methyl maleate,sipomer dmm,maleic acid dimethyl ester,dimethyl cis-butenedioate,2-butenedioic acid z-, dimethyl ester,dimethyl cis-ethylenedicarboxylate,2-butenedioic acid 2z-, dimethyl ester,2-butenedioic acid, dimethyl ester, z
IUPAC Name dimethyl (Z)-but-2-enedioate
InChI Key LDCRTTXIJACKKU-ARJAWSKDSA-N
Molecular Formula C6H8O4
9

Ethyl cis-4,7,10,13,16,19-Docosahexaenoate 97.0+%, TCI America™

CAS: 84494-72-4 Molecular Formula: C24H36O2 Molecular Weight (g/mol): 356.55 MDL Number: MFCD00056293 InChI Key: ITNKVODZACVXDS-UYXIOUCRSA-N Synonym: DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester PubChem CID: 71771404 IUPAC Name: ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC

PubChem CID 71771404
CAS 84494-72-4
Molecular Weight (g/mol) 356.55
MDL Number MFCD00056293
SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC
Synonym DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester
IUPAC Name ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
InChI Key ITNKVODZACVXDS-UYXIOUCRSA-N
Molecular Formula C24H36O2
10

9-(4'-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate Hydrate 96.0+%, TCI America™

CAS: 71501-19-4 Molecular Formula: C21H19NO9S Molecular Weight (g/mol): 461.44 MDL Number: MFCD00022273 InChI Key: YVJPXJIYDRZLQC-UHFFFAOYSA-N Synonym: Dimethylaminophenylfluorone (so called) PubChem CID: 91659008 IUPAC Name: N,N-dimethyl-4-(2,6,7-trihydroxy-3-oxo-3H-xanthen-1-yl)anilinium hydrogen sulfate SMILES: OS([O-])(=O)=O.C[NH+](C)C1=CC=C(C=C1)C1=C(O)C(=O)C=C2OC3=CC(O)=C(O)C=C3C=C12

PubChem CID 91659008
CAS 71501-19-4
Molecular Weight (g/mol) 461.44
MDL Number MFCD00022273
SMILES OS([O-])(=O)=O.C[NH+](C)C1=CC=C(C=C1)C1=C(O)C(=O)C=C2OC3=CC(O)=C(O)C=C3C=C12
Synonym Dimethylaminophenylfluorone (so called)
IUPAC Name N,N-dimethyl-4-(2,6,7-trihydroxy-3-oxo-3H-xanthen-1-yl)anilinium hydrogen sulfate
InChI Key YVJPXJIYDRZLQC-UHFFFAOYSA-N
Molecular Formula C21H19NO9S
11
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1-Octanesulfonic acid, sodium salt, HPLC grade

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

PubChem CID 23669624
CAS 5324-84-5
Molecular Weight (g/mol) 216.27
MDL Number MFCD00007544
SMILES [Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8
InChI Key HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula C8H17NaO3S
12
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Thermo Scientific Chemicals DL-Homocysteinethiolactone hydrochloride, 99%

CAS: 6038-19-3 MDL Number: MFCD00012724 InChI Key: ZSEGSUBKDDEALH-UHFFFAOYSA-N Synonym: dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride PubChem CID: 110753 IUPAC Name: 3-aminothiolan-2-one;hydrochloride SMILES: C1CSC(=O)C1N.Cl

PubChem CID 110753
CAS 6038-19-3
MDL Number MFCD00012724
SMILES C1CSC(=O)C1N.Cl
Synonym dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride
IUPAC Name 3-aminothiolan-2-one;hydrochloride
InChI Key ZSEGSUBKDDEALH-UHFFFAOYSA-N
13

1-Octanesulfonic Acid, Sodium Salt Anhydrous, HPLC Grade, Thermo Scientific Chemicals

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

PubChem CID 23669624
CAS 5324-84-5
Molecular Weight (g/mol) 216.27
MDL Number MFCD00007544
SMILES [Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8
IUPAC Name sodium octane-1-sulfonate
InChI Key HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula C8H17NaO3S
14
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1-Octanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium;octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

PubChem CID 23669624
CAS 5324-84-5
Molecular Weight (g/mol) 216.27
MDL Number MFCD00007544
SMILES [Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8
IUPAC Name sodium;octane-1-sulfonate
InChI Key HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula C8H17NaO3S
15
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Diethyl (2-oxopropyl)phosphonate, 96%

CAS: 1067-71-6 Molecular Formula: C7H19O4P Molecular Weight (g/mol): 198.2 MDL Number: MFCD00044728 InChI Key: RSAFKRSMGOSHRK-UHFFFAOYSA-N Synonym: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate PubChem CID: 14028 IUPAC Name: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC

PubChem CID 14028
CAS 1067-71-6
Molecular Weight (g/mol) 198.2
MDL Number MFCD00044728
SMILES CCOP(=O)(CC(=O)C)OCC
Synonym diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate
IUPAC Name 1-diethoxyphosphorylpropan-2-one
InChI Key RSAFKRSMGOSHRK-UHFFFAOYSA-N
Molecular Formula C7H19O4P