Organic acids and derivatives
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Ethanesulfonic Acid 90.0+%, TCI America™
CAS: 594-45-6 Molecular Formula: C2H5O3S Molecular Weight (g/mol): 109.12 MDL Number: MFCD00007529 InChI Key: CCIVGXIOQKPBKL-UHFFFAOYSA-M Synonym: ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid PubChem CID: 11668 ChEBI: CHEBI:42465 IUPAC Name: ethanesulfonate SMILES: CCS([O-])(=O)=O
| PubChem CID | 11668 |
|---|---|
| CAS | 594-45-6 |
| Molecular Weight (g/mol) | 109.12 |
| ChEBI | CHEBI:42465 |
| MDL Number | MFCD00007529 |
| SMILES | CCS([O-])(=O)=O |
| Synonym | ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid |
| IUPAC Name | ethanesulfonate |
| InChI Key | CCIVGXIOQKPBKL-UHFFFAOYSA-M |
| Molecular Formula | C2H5O3S |
3-Phenylpropionamide 98.0+%, TCI America™
CAS: 102-93-2 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00025535 InChI Key: VYIBCOSBNVFEIW-UHFFFAOYSA-N PubChem CID: 7625 IUPAC Name: 3-phenylpropanamide SMILES: C1=CC=C(C=C1)CCC(=O)N
| PubChem CID | 7625 |
|---|---|
| CAS | 102-93-2 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00025535 |
| SMILES | C1=CC=C(C=C1)CCC(=O)N |
| IUPAC Name | 3-phenylpropanamide |
| InChI Key | VYIBCOSBNVFEIW-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
5-Benzimidazolecarboxylic Acid 97.0+%, TCI America™
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 1H-1,3-benzodiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1
| PubChem CID | 459456 |
|---|---|
| CAS | 15788-16-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00011555 |
| SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
| IUPAC Name | 1H-1,3-benzodiazole-6-carboxylic acid |
| InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Ethyl 2-(p-Toluenesulfonyloxy)acetate 98.0+%, TCI America™
CAS: 39794-75-7 Molecular Formula: C11H14O5S Molecular Weight (g/mol): 258.29 MDL Number: MFCD18252874 InChI Key: CVNRARCXNKDWKI-UHFFFAOYSA-N Synonym: 2-(p-Toluenesulfonyloxy)acetic Acid Ethyl Ester PubChem CID: 11821264 IUPAC Name: ethyl 2-[(4-methylbenzenesulfonyl)oxy]acetate SMILES: CCOC(=O)COS(=O)(=O)C1=CC=C(C)C=C1
| PubChem CID | 11821264 |
|---|---|
| CAS | 39794-75-7 |
| Molecular Weight (g/mol) | 258.29 |
| MDL Number | MFCD18252874 |
| SMILES | CCOC(=O)COS(=O)(=O)C1=CC=C(C)C=C1 |
| Synonym | 2-(p-Toluenesulfonyloxy)acetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-[(4-methylbenzenesulfonyl)oxy]acetate |
| InChI Key | CVNRARCXNKDWKI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5S |
2-Nitrobenzamide 98.0+%, TCI America™
CAS: 610-15-1 Molecular Formula: C7H6N2O3 Molecular Weight (g/mol): 166.136 MDL Number: MFCD00007976 InChI Key: KLGQWSOYKYFBTR-UHFFFAOYSA-N Synonym: o-nitrobenzamide,benzamide, o-nitro,benzamide, 2-nitro,2-carbamoylnitrobenzene,nitrobenzamide,nitro-benzamide,2-nitro-benzamide,benzamide,2-nitro,benzmide, 2-nitro,wln: zvr bnw PubChem CID: 11876 IUPAC Name: 2-nitrobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]
| PubChem CID | 11876 |
|---|---|
| CAS | 610-15-1 |
| Molecular Weight (g/mol) | 166.136 |
| MDL Number | MFCD00007976 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] |
| Synonym | o-nitrobenzamide,benzamide, o-nitro,benzamide, 2-nitro,2-carbamoylnitrobenzene,nitrobenzamide,nitro-benzamide,2-nitro-benzamide,benzamide,2-nitro,benzmide, 2-nitro,wln: zvr bnw |
| IUPAC Name | 2-nitrobenzamide |
| InChI Key | KLGQWSOYKYFBTR-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O3 |
Ethyl Indole-3-carboxylate 97.0+%, TCI America™
CAS: 776-41-0 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD00228454 InChI Key: XOUHVMVYFOXTMN-UHFFFAOYSA-N Synonym: ethyl indole-3-carboxylate,indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid, ethyl ester,indole3carboxylicacidethylester,pubchem7352,lindole-3-ethyl formate,3-ethoxycarbonyl indole,ksc644o3d,3-indolecarboxylicacidethylester PubChem CID: 247965 IUPAC Name: ethyl 1H-indole-3-carboxylate SMILES: CCOC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 247965 |
|---|---|
| CAS | 776-41-0 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD00228454 |
| SMILES | CCOC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | ethyl indole-3-carboxylate,indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid ethyl ester,1h-indole-3-carboxylic acid, ethyl ester,indole3carboxylicacidethylester,pubchem7352,lindole-3-ethyl formate,3-ethoxycarbonyl indole,ksc644o3d,3-indolecarboxylicacidethylester |
| IUPAC Name | ethyl 1H-indole-3-carboxylate |
| InChI Key | XOUHVMVYFOXTMN-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
Vinyl 10-Undecenoate (stabilized with MEHQ) 92.0+%, TCI America™
CAS: 5299-57-0 Molecular Formula: C13H22O2 Molecular Weight (g/mol): 210.32 MDL Number: MFCD00142351 InChI Key: HUGGPHJJSYXCDJ-UHFFFAOYSA-N Synonym: 10-Undecenoic Acid Vinyl Ester PubChem CID: 544393 IUPAC Name: ethenyl undec-10-enoate SMILES: C=CCCCCCCCCC(=O)OC=C
| PubChem CID | 544393 |
|---|---|
| CAS | 5299-57-0 |
| Molecular Weight (g/mol) | 210.32 |
| MDL Number | MFCD00142351 |
| SMILES | C=CCCCCCCCCC(=O)OC=C |
| Synonym | 10-Undecenoic Acid Vinyl Ester |
| IUPAC Name | ethenyl undec-10-enoate |
| InChI Key | HUGGPHJJSYXCDJ-UHFFFAOYSA-N |
| Molecular Formula | C13H22O2 |
2,6-Di-O-palmitoyl-L-ascorbic Acid 97.0+%, TCI America™
CAS: 4218-81-9 Molecular Formula: C38H68O8 Molecular Weight (g/mol): 652.95 MDL Number: MFCD00059738 InChI Key: TUYRNAGGIJZRNM-UHFFFAOYNA-N Synonym: L-Ascorbyl 2,6-Dipalmitate PubChem CID: 54722209 IUPAC Name: 2-[4-(hexadecanoyloxy)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(OC(=O)CCCCCCCCCCCCCCC)=C1O
| PubChem CID | 54722209 |
|---|---|
| CAS | 4218-81-9 |
| Molecular Weight (g/mol) | 652.95 |
| MDL Number | MFCD00059738 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(OC(=O)CCCCCCCCCCCCCCC)=C1O |
| Synonym | L-Ascorbyl 2,6-Dipalmitate |
| IUPAC Name | 2-[4-(hexadecanoyloxy)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate |
| InChI Key | TUYRNAGGIJZRNM-UHFFFAOYNA-N |
| Molecular Formula | C38H68O8 |
5-Bromoisoindolin-1-one 98.0+%, TCI America™
CAS: 552330-86-6 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD09701292 InChI Key: WJNKJYJCWXMBNV-UHFFFAOYSA-N Synonym: 5-bromoisoindolin-1-one,5-bromo-2,3-dihydro-1h-isoindol-1-one,5-bromo-2,3-dihydro-isoindol-1-one,5-bromo-1-isoindolinone,1h-isoindol-1-one, 5-bromo-2,3-dihydro,5-bromoisoindolinone,acmc-1aw2c,5-bromo-1-oxo-isoindoline,5-bromo-2,3-dihydro-1h-isoindole-1-one PubChem CID: 22607119 IUPAC Name: 5-bromo-2,3-dihydroisoindol-1-one SMILES: C1C2=C(C=CC(=C2)Br)C(=O)N1
| PubChem CID | 22607119 |
|---|---|
| CAS | 552330-86-6 |
| Molecular Weight (g/mol) | 212.046 |
| MDL Number | MFCD09701292 |
| SMILES | C1C2=C(C=CC(=C2)Br)C(=O)N1 |
| Synonym | 5-bromoisoindolin-1-one,5-bromo-2,3-dihydro-1h-isoindol-1-one,5-bromo-2,3-dihydro-isoindol-1-one,5-bromo-1-isoindolinone,1h-isoindol-1-one, 5-bromo-2,3-dihydro,5-bromoisoindolinone,acmc-1aw2c,5-bromo-1-oxo-isoindoline,5-bromo-2,3-dihydro-1h-isoindole-1-one |
| IUPAC Name | 5-bromo-2,3-dihydroisoindol-1-one |
| InChI Key | WJNKJYJCWXMBNV-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
Diethyl 2,2'-Thiodiglycolate 97.0+%, TCI America™
CAS: 925-47-3 Molecular Formula: C8H14O4S Molecular Weight (g/mol): 206.256 MDL Number: MFCD00087932 InChI Key: TVCSSJHLVLMADJ-UHFFFAOYSA-N Synonym: 2,2′C-Thiodiglycolic Acid Diethyl Ester, Diethyl 2,2′C-Thiodiacetate, 2,2′C-Thiodiacetic Acid Diethyl Ester PubChem CID: 70216 IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate SMILES: CCOC(=O)CSCC(=O)OCC
| PubChem CID | 70216 |
|---|---|
| CAS | 925-47-3 |
| Molecular Weight (g/mol) | 206.256 |
| MDL Number | MFCD00087932 |
| SMILES | CCOC(=O)CSCC(=O)OCC |
| Synonym | 2,2′C-Thiodiglycolic Acid Diethyl Ester, Diethyl 2,2′C-Thiodiacetate, 2,2′C-Thiodiacetic Acid Diethyl Ester |
| IUPAC Name | ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate |
| InChI Key | TVCSSJHLVLMADJ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4S |
Chicoric Acid 98.0+%, TCI America™
CAS: 70831-56-0 Molecular Formula: C22H18O12 Molecular Weight (g/mol): 474.374 MDL Number: MFCD22683653 InChI Key: YDDGKXBLOXEEMN-IABMMNSOSA-N Synonym: (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid PubChem CID: 5281764 ChEBI: CHEBI:3594 IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
| PubChem CID | 5281764 |
|---|---|
| CAS | 70831-56-0 |
| Molecular Weight (g/mol) | 474.374 |
| ChEBI | CHEBI:3594 |
| MDL Number | MFCD22683653 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
| Synonym | (2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid |
| IUPAC Name | (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid |
| InChI Key | YDDGKXBLOXEEMN-IABMMNSOSA-N |
| Molecular Formula | C22H18O12 |
2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 90.0+%, TCI America™
CAS: 166330-03-6 Molecular Formula: C7H14BBrO2 Molecular Weight (g/mol): 220.90 MDL Number: MFCD09271779 InChI Key: KBGMAXNDJAGTDD-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Pinacol Ester PubChem CID: 10955110 IUPAC Name: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CBr)OC1(C)C
| PubChem CID | 10955110 |
|---|---|
| CAS | 166330-03-6 |
| Molecular Weight (g/mol) | 220.90 |
| MDL Number | MFCD09271779 |
| SMILES | CC1(C)OB(CBr)OC1(C)C |
| Synonym | (Bromomethyl)boronic Acid Pinacol Ester |
| IUPAC Name | 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | KBGMAXNDJAGTDD-UHFFFAOYSA-N |
| Molecular Formula | C7H14BBrO2 |
4-Butylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 145240-28-4 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.038 MDL Number: MFCD02093926 InChI Key: UGZUUTHZEATQAM-UHFFFAOYSA-N PubChem CID: 4100860 IUPAC Name: (4-butylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)CCCC)(O)O
| PubChem CID | 4100860 |
|---|---|
| CAS | 145240-28-4 |
| Molecular Weight (g/mol) | 178.038 |
| MDL Number | MFCD02093926 |
| SMILES | B(C1=CC=C(C=C1)CCCC)(O)O |
| IUPAC Name | (4-butylphenyl)boronic acid |
| InChI Key | UGZUUTHZEATQAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2 |
2,4-Dibutoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 870778-89-5 Molecular Formula: C14H23BO4 Molecular Weight (g/mol): 266.14 MDL Number: MFCD07784348 InChI Key: RZGMDQYKUFKOMM-UHFFFAOYSA-N Synonym: 2,4-Dibutoxybenzeneboronic Acid PubChem CID: 16217895 IUPAC Name: (2,4-dibutoxyphenyl)boronic acid SMILES: CCCCOC1=CC(OCCCC)=C(C=C1)B(O)O
| PubChem CID | 16217895 |
|---|---|
| CAS | 870778-89-5 |
| Molecular Weight (g/mol) | 266.14 |
| MDL Number | MFCD07784348 |
| SMILES | CCCCOC1=CC(OCCCC)=C(C=C1)B(O)O |
| Synonym | 2,4-Dibutoxybenzeneboronic Acid |
| IUPAC Name | (2,4-dibutoxyphenyl)boronic acid |
| InChI Key | RZGMDQYKUFKOMM-UHFFFAOYSA-N |
| Molecular Formula | C14H23BO4 |
Methyl Benzoate 99.0+%, TCI America™
CAS: 93-58-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008421 InChI Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N Synonym: methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le PubChem CID: 7150 ChEBI: CHEBI:72775 IUPAC Name: methyl benzoate SMILES: COC(=O)C1=CC=CC=C1
| PubChem CID | 7150 |
|---|---|
| CAS | 93-58-3 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:72775 |
| MDL Number | MFCD00008421 |
| SMILES | COC(=O)C1=CC=CC=C1 |
| Synonym | methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le |
| IUPAC Name | methyl benzoate |
| InChI Key | QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |