Organic acids and derivatives
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1-Naphthyl phosphate, monosodium salt monohydrate, 98+%
CAS: 81012-89-7 Molecular Formula: C10H7O4P Molecular Weight (g/mol): 222.14 MDL Number: MFCD00150615 InChI Key: YNXICDMQCQPQEW-UHFFFAOYSA-L Synonym: 1-naphthyl phosphate monosodium salt monohydrate,sodium naphthalen-1-yl hydrogenphosphate hydrate,alpha-naphthyl acid phosphate monosodium,sodium hydrate naphthalen-1-yl hydrogen phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h8po4.na.h2o,sodium 1-naphthyl phosphate monohydrate,1-naphthyl phosphate, monosodium salt monohydrate,naphthalen-1-yloxy sodiooxy phosphinic acid hydrate,1-naphthyl phosphate monosodium salt monohydrate hplc PubChem CID: 45055387 SMILES: [O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1
| PubChem CID | 45055387 |
|---|---|
| CAS | 81012-89-7 |
| Molecular Weight (g/mol) | 222.14 |
| MDL Number | MFCD00150615 |
| SMILES | [O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthyl phosphate monosodium salt monohydrate,sodium naphthalen-1-yl hydrogenphosphate hydrate,alpha-naphthyl acid phosphate monosodium,sodium hydrate naphthalen-1-yl hydrogen phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h8po4.na.h2o,sodium 1-naphthyl phosphate monohydrate,1-naphthyl phosphate, monosodium salt monohydrate,naphthalen-1-yloxy sodiooxy phosphinic acid hydrate,1-naphthyl phosphate monosodium salt monohydrate hplc |
| InChI Key | YNXICDMQCQPQEW-UHFFFAOYSA-L |
| Molecular Formula | C10H7O4P |
4-Methoxy-6-methyl-2H-pyran-2-one, 97%, Thermo Scientific Chemicals
CAS: 672-89-9 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00006640 InChI Key: MTZAUZNQAMNFME-UHFFFAOYSA-N Synonym: 4-methoxy-6-methyl-2h-pyran-2-one,methyltriacetolactone,methyltriacetolacton,2h-pyran-2-one, 4-methoxy-6-methyl,4-methoxy-6-methyl-pyran-2-one,methyltriacetolacton german,4-methoxy-6-methyl-2-pyrone,4mhp,wln: t6ovj do1 f1,4-methoxy-6-methyl-2-pyranone PubChem CID: 12651 IUPAC Name: 4-methoxy-6-methylpyran-2-one SMILES: COC1=CC(=O)OC(C)=C1
| PubChem CID | 12651 |
|---|---|
| CAS | 672-89-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00006640 |
| SMILES | COC1=CC(=O)OC(C)=C1 |
| Synonym | 4-methoxy-6-methyl-2h-pyran-2-one,methyltriacetolactone,methyltriacetolacton,2h-pyran-2-one, 4-methoxy-6-methyl,4-methoxy-6-methyl-pyran-2-one,methyltriacetolacton german,4-methoxy-6-methyl-2-pyrone,4mhp,wln: t6ovj do1 f1,4-methoxy-6-methyl-2-pyranone |
| IUPAC Name | 4-methoxy-6-methylpyran-2-one |
| InChI Key | MTZAUZNQAMNFME-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
Tetraethyl ethylenediphosphonate, 98%
CAS: 995-32-4 Molecular Formula: C10H24O6P2 Molecular Weight (g/mol): 302.24 MDL Number: MFCD00015133 InChI Key: RSQYXXACEZCDFS-UHFFFAOYSA-N Synonym: tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy PubChem CID: 70446 IUPAC Name: 1,2-bis(diethoxyphosphoryl)ethane SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC
| PubChem CID | 70446 |
|---|---|
| CAS | 995-32-4 |
| Molecular Weight (g/mol) | 302.24 |
| MDL Number | MFCD00015133 |
| SMILES | CCOP(=O)(CCP(=O)(OCC)OCC)OCC |
| Synonym | tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy |
| IUPAC Name | 1,2-bis(diethoxyphosphoryl)ethane |
| InChI Key | RSQYXXACEZCDFS-UHFFFAOYSA-N |
| Molecular Formula | C10H24O6P2 |
n-Butylboronic acid, 98%
CAS: 4426-47-5 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00002106 InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N Synonym: n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane PubChem CID: 20479 IUPAC Name: butylboronic acid SMILES: CCCCB(O)O
| PubChem CID | 20479 |
|---|---|
| CAS | 4426-47-5 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00002106 |
| SMILES | CCCCB(O)O |
| Synonym | n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane |
| IUPAC Name | butylboronic acid |
| InChI Key | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
6-Methoxy-2-naphthaleneboronic acid, 97%
CAS: 156641-98-4 Molecular Formula: C11H11BO3 Molecular Weight (g/mol): 202.02 MDL Number: MFCD03093087 InChI Key: GZFAVYWCPSMLCM-UHFFFAOYSA-N Synonym: 6-methoxy-2-naphthaleneboronic acid,6-methoxynaphthalen-2-yl boronic acid,6-methoxy-2-naphthylboronic acid,6-methoxynaphthalene-2-boronic acid,6-methoxy-2-naphthyl boronic acid,2-methoxynaphthalene-6-boronic acid,boronic acid, 6-methoxy-2-naphthalenyl,6-methoxy-2-naphthalenyl boronic acid,acmc-209deh,ksc489k9r PubChem CID: 4641692 IUPAC Name: (6-methoxynaphthalen-2-yl)boronic acid SMILES: COC1=CC2=CC=C(C=C2C=C1)B(O)O
| PubChem CID | 4641692 |
|---|---|
| CAS | 156641-98-4 |
| Molecular Weight (g/mol) | 202.02 |
| MDL Number | MFCD03093087 |
| SMILES | COC1=CC2=CC=C(C=C2C=C1)B(O)O |
| Synonym | 6-methoxy-2-naphthaleneboronic acid,6-methoxynaphthalen-2-yl boronic acid,6-methoxy-2-naphthylboronic acid,6-methoxynaphthalene-2-boronic acid,6-methoxy-2-naphthyl boronic acid,2-methoxynaphthalene-6-boronic acid,boronic acid, 6-methoxy-2-naphthalenyl,6-methoxy-2-naphthalenyl boronic acid,acmc-209deh,ksc489k9r |
| IUPAC Name | (6-methoxynaphthalen-2-yl)boronic acid |
| InChI Key | GZFAVYWCPSMLCM-UHFFFAOYSA-N |
| Molecular Formula | C11H11BO3 |
4-Cyano-3-fluorophenylboronic acid, 97%
CAS: 843663-18-3 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD03411549 InChI Key: DECWLXUOZUMPBF-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorobenzeneboronic acid,4-cyano-3-fluorophenyl boronic acid,4-borono-2-fluorobenzonitrile,4-cyano-3-fluoro-phenyl boronic acid,4-cyano-3-fluoro phenyl boronic acid,3-fluoro-4-cyanophenylboronic acid,boronic acid, 4-cyano-3-fluorophenyl,4-cyano-3-fluorophenylboronicacid,pubchem1801,acmc-209pug PubChem CID: 2783130 IUPAC Name: (4-cyano-3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC(F)=C(C=C1)C#N
| PubChem CID | 2783130 |
|---|---|
| CAS | 843663-18-3 |
| Molecular Weight (g/mol) | 164.93 |
| MDL Number | MFCD03411549 |
| SMILES | OB(O)C1=CC(F)=C(C=C1)C#N |
| Synonym | 4-cyano-3-fluorobenzeneboronic acid,4-cyano-3-fluorophenyl boronic acid,4-borono-2-fluorobenzonitrile,4-cyano-3-fluoro-phenyl boronic acid,4-cyano-3-fluoro phenyl boronic acid,3-fluoro-4-cyanophenylboronic acid,boronic acid, 4-cyano-3-fluorophenyl,4-cyano-3-fluorophenylboronicacid,pubchem1801,acmc-209pug |
| IUPAC Name | (4-cyano-3-fluorophenyl)boronic acid |
| InChI Key | DECWLXUOZUMPBF-UHFFFAOYSA-N |
| Molecular Formula | C7H5BFNO2 |
Thioacetic acid, 97%
CAS: 507-09-5 Molecular Formula: C2H4OS Molecular Weight (g/mol): 76.11 MDL Number: MFCD00004853 InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N Synonym: thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh PubChem CID: 10484 ChEBI: CHEBI:16555 IUPAC Name: ethanethioic S-acid SMILES: CC(S)=O
| PubChem CID | 10484 |
|---|---|
| CAS | 507-09-5 |
| Molecular Weight (g/mol) | 76.11 |
| ChEBI | CHEBI:16555 |
| MDL Number | MFCD00004853 |
| SMILES | CC(S)=O |
| Synonym | thioacetic acid,ethanethioic acid,thiacetic acid,thioacetic s-acid,acetyl mercaptan,ethanethiolic acid,thiolacetic acid,thionoacetic acid,methanecarbothiolic acid,ch3cosh |
| IUPAC Name | ethanethioic S-acid |
| InChI Key | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| Molecular Formula | C2H4OS |
Ethyl 2-bromovalerate, 97%
CAS: 615-83-8 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00000159 InChI Key: ORSIRXYHFPHWTN-UHFFFAOYSA-N PubChem CID: 79071 IUPAC Name: ethyl 2-bromopentanoate SMILES: CCCC(C(=O)OCC)Br
| PubChem CID | 79071 |
|---|---|
| CAS | 615-83-8 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00000159 |
| SMILES | CCCC(C(=O)OCC)Br |
| IUPAC Name | ethyl 2-bromopentanoate |
| InChI Key | ORSIRXYHFPHWTN-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
Dimethyl cis-1,2-cyclopropanedicarboxylate, 97+%
CAS: 826-34-6 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.16 MDL Number: MFCD00062805 InChI Key: JBVOSZYUSFDYIN-SYDPRGILSA-N Synonym: dimethyl cis-1,2-cyclopropanedicarboxylate,dimethyl 1r,2s-cyclopropane-1,2-dicarboxylate,cis-dimethyl cyclopropane-1,2-dicarboxylate,dimethylcis-1,2-cyclopropanedicarboxylate,cyclopropane-1,2-dicarboxylic acid dimethyl ester, z,1,2-cyclopropanedicarboxylic acid, dimethyl ester, 1r,2s-rel,1,2-dimethyl 1r,2s-cyclopropane-1,2-dicarboxylate,1r,2s-dimethyl cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, dimethyl ester, 1r,2s,1,2-cyclopropanedicarboxylicacid, 1,2-dimethyl ester, 1r,2s-rel PubChem CID: 642979 IUPAC Name: dimethyl (1S,2R)-cyclopropane-1,2-dicarboxylate SMILES: COC(=O)C1CC1C(=O)OC
| PubChem CID | 642979 |
|---|---|
| CAS | 826-34-6 |
| Molecular Weight (g/mol) | 158.16 |
| MDL Number | MFCD00062805 |
| SMILES | COC(=O)C1CC1C(=O)OC |
| Synonym | dimethyl cis-1,2-cyclopropanedicarboxylate,dimethyl 1r,2s-cyclopropane-1,2-dicarboxylate,cis-dimethyl cyclopropane-1,2-dicarboxylate,dimethylcis-1,2-cyclopropanedicarboxylate,cyclopropane-1,2-dicarboxylic acid dimethyl ester, z,1,2-cyclopropanedicarboxylic acid, dimethyl ester, 1r,2s-rel,1,2-dimethyl 1r,2s-cyclopropane-1,2-dicarboxylate,1r,2s-dimethyl cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, dimethyl ester, 1r,2s,1,2-cyclopropanedicarboxylicacid, 1,2-dimethyl ester, 1r,2s-rel |
| IUPAC Name | dimethyl (1S,2R)-cyclopropane-1,2-dicarboxylate |
| InChI Key | JBVOSZYUSFDYIN-SYDPRGILSA-N |
| Molecular Formula | C7H10O4 |
Tri-n-hexyl phosphate, 90+%
CAS: 2528-39-4 Molecular Formula: C18H39O4P Molecular Weight (g/mol): 350.48 MDL Number: MFCD00015351 InChI Key: SFENPMLASUEABX-UHFFFAOYSA-N Synonym: phosphoric acid, trihexyl ester,tri-n-hexyl phosphate,tri n-hexyl phosphate,acmc-20aje0,aronis24109 PubChem CID: 75666 IUPAC Name: trihexyl phosphate SMILES: CCCCCCOP(=O)(OCCCCCC)OCCCCCC
| PubChem CID | 75666 |
|---|---|
| CAS | 2528-39-4 |
| Molecular Weight (g/mol) | 350.48 |
| MDL Number | MFCD00015351 |
| SMILES | CCCCCCOP(=O)(OCCCCCC)OCCCCCC |
| Synonym | phosphoric acid, trihexyl ester,tri-n-hexyl phosphate,tri n-hexyl phosphate,acmc-20aje0,aronis24109 |
| IUPAC Name | trihexyl phosphate |
| InChI Key | SFENPMLASUEABX-UHFFFAOYSA-N |
| Molecular Formula | C18H39O4P |
N,2,3-Trimethyl-2-isopropylbutamide
CAS: 51115-67-4 Molecular Formula: C10H21NO Molecular Weight (g/mol): 171.28 MDL Number: MFCD00130070 InChI Key: RWAXQWRDVUOOGG-UHFFFAOYSA-N Synonym: 2-isopropyl-n,2,3-trimethylbutyramide,2-isopropyl-n,2,3-trimethylbutanamide,trimethyl isopropyl butanamide,methyl diisopropyl propionamide,n,2,3-trimethyl-2-1-methylethyl butanamide,unii-6qop5a9489,n,2,3-trimethyl-2-isopropylbutanamide,n,2,3-trimethyl-2-isopropylbutamide,butanamide, n,2,3-trimethyl-2-1-methylethyl,n,2,3-trimethyl-2-propan-2-yl butanamide PubChem CID: 65300 IUPAC Name: N,2,3-trimethyl-2-propan-2-ylbutanamide SMILES: CNC(=O)C(C)(C(C)C)C(C)C
| PubChem CID | 65300 |
|---|---|
| CAS | 51115-67-4 |
| Molecular Weight (g/mol) | 171.28 |
| MDL Number | MFCD00130070 |
| SMILES | CNC(=O)C(C)(C(C)C)C(C)C |
| Synonym | 2-isopropyl-n,2,3-trimethylbutyramide,2-isopropyl-n,2,3-trimethylbutanamide,trimethyl isopropyl butanamide,methyl diisopropyl propionamide,n,2,3-trimethyl-2-1-methylethyl butanamide,unii-6qop5a9489,n,2,3-trimethyl-2-isopropylbutanamide,n,2,3-trimethyl-2-isopropylbutamide,butanamide, n,2,3-trimethyl-2-1-methylethyl,n,2,3-trimethyl-2-propan-2-yl butanamide |
| IUPAC Name | N,2,3-trimethyl-2-propan-2-ylbutanamide |
| InChI Key | RWAXQWRDVUOOGG-UHFFFAOYSA-N |
| Molecular Formula | C10H21NO |
Phosphoenolpyruvic acid trisodium salt heptahydrate, 98%
CAS: 5541-93-5 Molecular Formula: C3H2Na3O6P Molecular Weight (g/mol): 233.986 MDL Number: MFCD00150737 InChI Key: RJUFBDMHZGRGMA-UHFFFAOYSA-K Synonym: 2-propenoic acid, 2-phosphonooxy-, trisodium salt,trisodium 2-phosphonatooxy prop-2-enoate,unii-78y3q07j1x,phosphoenolpyruvate trisodium salt,2-phosphoenol pyruvate na3salt,2-propenoic acid, 2-phosphonooxy-, sodium salt 1:3,trisodium phosphonatoenolpyruvate,trisodium 2-phosphonatoacrylate,trisodium phosphoenolpyruvate,c3h2o6p.3na PubChem CID: 79673 IUPAC Name: trisodium;2-phosphonatooxyprop-2-enoate SMILES: C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
| PubChem CID | 79673 |
|---|---|
| CAS | 5541-93-5 |
| Molecular Weight (g/mol) | 233.986 |
| MDL Number | MFCD00150737 |
| SMILES | C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| Synonym | 2-propenoic acid, 2-phosphonooxy-, trisodium salt,trisodium 2-phosphonatooxy prop-2-enoate,unii-78y3q07j1x,phosphoenolpyruvate trisodium salt,2-phosphoenol pyruvate na3salt,2-propenoic acid, 2-phosphonooxy-, sodium salt 1:3,trisodium phosphonatoenolpyruvate,trisodium 2-phosphonatoacrylate,trisodium phosphoenolpyruvate,c3h2o6p.3na |
| IUPAC Name | trisodium;2-phosphonatooxyprop-2-enoate |
| InChI Key | RJUFBDMHZGRGMA-UHFFFAOYSA-K |
| Molecular Formula | C3H2Na3O6P |
6-Hydroxycaproic acid, 95%
CAS: 1191-25-9 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00046560 InChI Key: IWHLYPDWHHPVAA-UHFFFAOYSA-N Synonym: 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid PubChem CID: 14490 ChEBI: CHEBI:17869 IUPAC Name: 6-hydroxyhexanoic acid SMILES: C(CCC(=O)O)CCO
| PubChem CID | 14490 |
|---|---|
| CAS | 1191-25-9 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:17869 |
| MDL Number | MFCD00046560 |
| SMILES | C(CCC(=O)O)CCO |
| Synonym | 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid |
| IUPAC Name | 6-hydroxyhexanoic acid |
| InChI Key | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
4-Hydroxy-6-methyl-2-pyrone, 98%
CAS: 675-10-5 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006641,MFCD18820248 InChI Key: OOKCZXGEYPSNIM-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 PubChem CID: 54675757 ChEBI: CHEBI:16458 IUPAC Name: 4-hydroxy-6-methylpyran-2-one SMILES: CC1=CC(=O)C=C(O)O1
| PubChem CID | 54675757 |
|---|---|
| CAS | 675-10-5 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16458 |
| MDL Number | MFCD00006641,MFCD18820248 |
| SMILES | CC1=CC(=O)C=C(O)O1 |
| Synonym | 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 |
| IUPAC Name | 4-hydroxy-6-methylpyran-2-one |
| InChI Key | OOKCZXGEYPSNIM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |