Organic acids and derivatives
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4-Methyloxindole, 95%, Thermo Scientific Chemicals
CAS: 13220-46-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD09835631 InChI Key: USRZZPHRQZGXFH-UHFFFAOYSA-N Synonym: 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one PubChem CID: 12579382 IUPAC Name: 4-methyl-2,3-dihydro-1H-indol-2-one SMILES: CC1=C2CC(=O)NC2=CC=C1
| PubChem CID | 12579382 |
|---|---|
| CAS | 13220-46-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD09835631 |
| SMILES | CC1=C2CC(=O)NC2=CC=C1 |
| Synonym | 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one |
| IUPAC Name | 4-methyl-2,3-dihydro-1H-indol-2-one |
| InChI Key | USRZZPHRQZGXFH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
N-Formylpiperidine, 99%
CAS: 2591-86-8 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006483 InChI Key: FEWLNYSYJNLUOO-UHFFFAOYSA-N Synonym: n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg PubChem CID: 17429 ChEBI: CHEBI:42546 IUPAC Name: piperidine-1-carbaldehyde SMILES: C1CCN(CC1)C=O
| PubChem CID | 17429 |
|---|---|
| CAS | 2591-86-8 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:42546 |
| MDL Number | MFCD00006483 |
| SMILES | C1CCN(CC1)C=O |
| Synonym | n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg |
| IUPAC Name | piperidine-1-carbaldehyde |
| InChI Key | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
GR ACS Butyl Acetate, MilliporeSigma™
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
4-Aminocarbonylphenylboronic acid, 97%
CAS: 123088-59-5 Molecular Formula: C7H8BNO3 Molecular Weight (g/mol): 164.96 MDL Number: MFCD03411940 InChI Key: GNRHNKBJNUVWFZ-UHFFFAOYSA-N Synonym: 4-aminocarbonylphenylboronic acid,4-carbamoylphenyl boronic acid,benzamide-4-boronic acid,4-aminocarbonyl benzeneboronic acid,4-carbamoylbenzeneboronic acid,4-aminocarbonylphenyl boronic acid,4-dihydroxyboranyl benzamide,p-aminocarbonyl phenylboronic acid,boronic acid, 4-aminocarbonyl phenyl,4-aminocarbonyl phenylboronic acid PubChem CID: 2737811 IUPAC Name: (4-carbamoylphenyl)boronic acid SMILES: NC(=O)C1=CC=C(C=C1)B(O)O
| PubChem CID | 2737811 |
|---|---|
| CAS | 123088-59-5 |
| Molecular Weight (g/mol) | 164.96 |
| MDL Number | MFCD03411940 |
| SMILES | NC(=O)C1=CC=C(C=C1)B(O)O |
| Synonym | 4-aminocarbonylphenylboronic acid,4-carbamoylphenyl boronic acid,benzamide-4-boronic acid,4-aminocarbonyl benzeneboronic acid,4-carbamoylbenzeneboronic acid,4-aminocarbonylphenyl boronic acid,4-dihydroxyboranyl benzamide,p-aminocarbonyl phenylboronic acid,boronic acid, 4-aminocarbonyl phenyl,4-aminocarbonyl phenylboronic acid |
| IUPAC Name | (4-carbamoylphenyl)boronic acid |
| InChI Key | GNRHNKBJNUVWFZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BNO3 |
Zinc propionate, 97%
CAS: 557-28-8 Molecular Formula: C6H10O4Zn Molecular Weight (g/mol): 211.52 MDL Number: MFCD00045937 InChI Key: XDWXRAYGALQIFG-UHFFFAOYSA-L Synonym: zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic PubChem CID: 11189 IUPAC Name: zinc;propanoate SMILES: [Zn++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 11189 |
|---|---|
| CAS | 557-28-8 |
| Molecular Weight (g/mol) | 211.52 |
| MDL Number | MFCD00045937 |
| SMILES | [Zn++].CCC([O-])=O.CCC([O-])=O |
| Synonym | zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic |
| IUPAC Name | zinc;propanoate |
| InChI Key | XDWXRAYGALQIFG-UHFFFAOYSA-L |
| Molecular Formula | C6H10O4Zn |
N-Methylbenzamide, 99%
CAS: 613-93-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00011642 InChI Key: NCCHARWOCKOHIH-UHFFFAOYSA-N Synonym: benzamide, n-methyl,n-methylbenzenamide,n-methyl-benzamide,n-methylbenzenecarboxamide,unii-k3ed781e08,ccris 4670,n-methyl benzamide,n-methylbenzimidic acid,acmc-1bb7i,dsstox_cid_5570 PubChem CID: 11954 IUPAC Name: N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1
| PubChem CID | 11954 |
|---|---|
| CAS | 613-93-4 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00011642 |
| SMILES | CNC(=O)C1=CC=CC=C1 |
| Synonym | benzamide, n-methyl,n-methylbenzenamide,n-methyl-benzamide,n-methylbenzenecarboxamide,unii-k3ed781e08,ccris 4670,n-methyl benzamide,n-methylbenzimidic acid,acmc-1bb7i,dsstox_cid_5570 |
| IUPAC Name | N-methylbenzamide |
| InChI Key | NCCHARWOCKOHIH-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Methylboronic acid, 97%
CAS: 13061-96-6 Molecular Formula: CH5BO2 Molecular Weight (g/mol): 59.86 MDL Number: MFCD00002105 InChI Key: KTMKRRPZPWUYKK-UHFFFAOYSA-N Synonym: methaneboronic acid,methyl boronic acid,dihydroxymethylborane,boronic acid, methyl,unii-8z1me41sch,methane boronic acid,8z1me41sch,methylboronicacid,methyboronic acid,methyl-boronic acid PubChem CID: 139377 IUPAC Name: methylboronic acid SMILES: CB(O)O
| PubChem CID | 139377 |
|---|---|
| CAS | 13061-96-6 |
| Molecular Weight (g/mol) | 59.86 |
| MDL Number | MFCD00002105 |
| SMILES | CB(O)O |
| Synonym | methaneboronic acid,methyl boronic acid,dihydroxymethylborane,boronic acid, methyl,unii-8z1me41sch,methane boronic acid,8z1me41sch,methylboronicacid,methyboronic acid,methyl-boronic acid |
| IUPAC Name | methylboronic acid |
| InChI Key | KTMKRRPZPWUYKK-UHFFFAOYSA-N |
| Molecular Formula | CH5BO2 |
3,4,6-Tri-O-acetyl-D-galactal
CAS: 4098-06-0 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00064092 InChI Key: LLPWGHLVUPBSLP-UHFFFAOYNA-N Synonym: 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal PubChem CID: 640125 IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O
| PubChem CID | 640125 |
|---|---|
| CAS | 4098-06-0 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00064092 |
| SMILES | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O |
| Synonym | 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal |
| IUPAC Name | [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UHFFFAOYNA-N |
| Molecular Formula | C12H16O7 |
L-Ascorbic acid, ≥99%, MP Biomedicals™
CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 131674100 |
|---|---|
| CAS | 134-03-2 |
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
3-(4-Biphenyl)propionic acid, 98%
CAS: 35888-99-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD06823979 InChI Key: MVFHRQWYCXYYMU-UHFFFAOYSA-N Synonym: 2 4-biphenyl propionic acid,3-4-phenylphenyl propanoic acid,3-4-biphenyl propionic acid,3-1,1'-biphenyl-4-yl propanoic acid,3-biphenyl-4-yl propanoic acid,1,1'-biphenyl-4-propanoic acid,2 para-biphenyl propionic acid,biphenyl-4-propanoic acid PubChem CID: 3082434 IUPAC Name: 3-(4-phenylphenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 3082434 |
|---|---|
| CAS | 35888-99-4 |
| Molecular Weight (g/mol) | 226.28 |
| MDL Number | MFCD06823979 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 2 4-biphenyl propionic acid,3-4-phenylphenyl propanoic acid,3-4-biphenyl propionic acid,3-1,1'-biphenyl-4-yl propanoic acid,3-biphenyl-4-yl propanoic acid,1,1'-biphenyl-4-propanoic acid,2 para-biphenyl propionic acid,biphenyl-4-propanoic acid |
| IUPAC Name | 3-(4-phenylphenyl)propanoic acid |
| InChI Key | MVFHRQWYCXYYMU-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
3,5-Dimethylisoxazole-4-boronic acid pinacol ester, 97%
CAS: 832114-00-8 Molecular Formula: C11H18BNO3 Molecular Weight (g/mol): 223.079 MDL Number: MFCD05863910 InChI Key: CVLHETBAROWASE-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk PubChem CID: 2758656 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C
| PubChem CID | 2758656 |
|---|---|
| CAS | 832114-00-8 |
| Molecular Weight (g/mol) | 223.079 |
| MDL Number | MFCD05863910 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C |
| Synonym | 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk |
| IUPAC Name | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole |
| InChI Key | CVLHETBAROWASE-UHFFFAOYSA-N |
| Molecular Formula | C11H18BNO3 |
Methyl indole-7-carboxylate, 97%
CAS: 93247-78-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00211064 InChI Key: FTLOEULOTNVCGF-UHFFFAOYSA-N Synonym: methyl indole-7-carboxylate,1h-indole-7-carboxylic acid methyl ester,indole-7-carboxylic acid methyl ester,methylindole-7-carboxylate,indole-7-carboxylicacidmethylester,methyl-indole-7-carboxylate,methyl 7-indolecarboxylate,7-indolecarboxylic acid methyl ester,1h-indole-7-carboxylic acid,methyl ester,1h-indole-7-carboxylic acid, methyl ester PubChem CID: 676694 IUPAC Name: methyl 1H-indole-7-carboxylate SMILES: COC(=O)C1=C2NC=CC2=CC=C1
| PubChem CID | 676694 |
|---|---|
| CAS | 93247-78-0 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00211064 |
| SMILES | COC(=O)C1=C2NC=CC2=CC=C1 |
| Synonym | methyl indole-7-carboxylate,1h-indole-7-carboxylic acid methyl ester,indole-7-carboxylic acid methyl ester,methylindole-7-carboxylate,indole-7-carboxylicacidmethylester,methyl-indole-7-carboxylate,methyl 7-indolecarboxylate,7-indolecarboxylic acid methyl ester,1h-indole-7-carboxylic acid,methyl ester,1h-indole-7-carboxylic acid, methyl ester |
| IUPAC Name | methyl 1H-indole-7-carboxylate |
| InChI Key | FTLOEULOTNVCGF-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
3-Pyridinepropionic acid, 97%
CAS: 3724-19-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00274197 InChI Key: WDGXIUUWINKTGP-UHFFFAOYSA-N Synonym: 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 PubChem CID: 259624 IUPAC Name: 3-pyridin-3-ylpropanoic acid SMILES: C1=CC(=CN=C1)CCC(=O)O
| PubChem CID | 259624 |
|---|---|
| CAS | 3724-19-4 |
| Molecular Weight (g/mol) | 151.16 |
| MDL Number | MFCD00274197 |
| SMILES | C1=CC(=CN=C1)CCC(=O)O |
| Synonym | 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 |
| IUPAC Name | 3-pyridin-3-ylpropanoic acid |
| InChI Key | WDGXIUUWINKTGP-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
1-Phenyl-1-cyclopropanecarboxylic acid, 97%
CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 80206 |
|---|---|
| CAS | 6120-95-2 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00001288 |
| SMILES | C1CC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid |
| IUPAC Name | 1-phenylcyclopropane-1-carboxylic acid |
| InChI Key | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
(S)-2-Hydroxy-3-buten-1-yl p-tosylate, 99%, Thermo Scientific™
CAS: 133095-74-6 Molecular Formula: C11H14O4S Molecular Weight (g/mol): 242.29 MDL Number: MFCD00145259 InChI Key: YQSCDBZHHLIPOI-JTQLQIEISA-N Synonym: s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s PubChem CID: 7015761 IUPAC Name: [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C
| PubChem CID | 7015761 |
|---|---|
| CAS | 133095-74-6 |
| Molecular Weight (g/mol) | 242.29 |
| MDL Number | MFCD00145259 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)C=C |
| Synonym | s-3-butene-1,2-diol-1-p-toluenesulfonate,s-2-hydroxy-3-butenyl tosylate,3-butene-1,2-diol, 1-4-methylbenzenesulfonate , 2s,2s-1-4-methylbenzenesulfonyl oxy but-3-en-2-ol,pubchem6792,s-3-butene-1,2-diol 1-tosylate,2s-2-hydroxybut-3-enyl 4-methylbenzenesulfonate,s-4-4-methylphenyl sulfonyl oxy-1-butene-3-ol,s-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester,3-butene-1,2-diol,1-4-methylbenzenesulfonate , 2s |
| IUPAC Name | [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate |
| InChI Key | YQSCDBZHHLIPOI-JTQLQIEISA-N |
| Molecular Formula | C11H14O4S |