Organic acids and derivatives
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2-Acetamido-5-bromo-4-methylpyridine 98.0+%, TCI America™
CAS: 142404-82-8 Molecular Formula: C8H9BrN2O Molecular Weight (g/mol): 229.077 MDL Number: MFCD06798092 InChI Key: WVJCOPBDWMWUNP-UHFFFAOYSA-N Synonym: 2-Acetamido-5-bromo-4-picoline PubChem CID: 15179563 IUPAC Name: N-(5-bromo-4-methylpyridin-2-yl)acetamide SMILES: CC1=CC(=NC=C1Br)NC(=O)C
| PubChem CID | 15179563 |
|---|---|
| CAS | 142404-82-8 |
| Molecular Weight (g/mol) | 229.077 |
| MDL Number | MFCD06798092 |
| SMILES | CC1=CC(=NC=C1Br)NC(=O)C |
| Synonym | 2-Acetamido-5-bromo-4-picoline |
| IUPAC Name | N-(5-bromo-4-methylpyridin-2-yl)acetamide |
| InChI Key | WVJCOPBDWMWUNP-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrN2O |
N-(2-Aminophenyl)-4-[1-[2-(3-thienyl)ethyl]-1H-1,2,3-triazol-4-yl]benzamide 95.0+%, TCI America™
CAS: 1451042-18-4 Molecular Formula: C21H19N5OS Molecular Weight (g/mol): 389.48 MDL Number: MFCD29089340 InChI Key: LBLSLSOENGWIHL-UHFFFAOYSA-N Synonym: T 247 PubChem CID: 71721946 IUPAC Name: N-(2-aminophenyl)-4-{1-[2-(thiophen-3-yl)ethyl]-1H-1,2,3-triazol-4-yl}benzamide SMILES: NC1=CC=CC=C1NC(=O)C1=CC=C(C=C1)C1=CN(CCC2=CSC=C2)N=N1
| PubChem CID | 71721946 |
|---|---|
| CAS | 1451042-18-4 |
| Molecular Weight (g/mol) | 389.48 |
| MDL Number | MFCD29089340 |
| SMILES | NC1=CC=CC=C1NC(=O)C1=CC=C(C=C1)C1=CN(CCC2=CSC=C2)N=N1 |
| Synonym | T 247 |
| IUPAC Name | N-(2-aminophenyl)-4-{1-[2-(thiophen-3-yl)ethyl]-1H-1,2,3-triazol-4-yl}benzamide |
| InChI Key | LBLSLSOENGWIHL-UHFFFAOYSA-N |
| Molecular Formula | C21H19N5OS |
Disodium 1-Naphthyl Phosphate Hydrate [Substrate for Phosphatase], TCI America™
CAS: 207569-06-0 Molecular Formula: C10H7Na2O4P Molecular Weight (g/mol): 268.12 MDL Number: MFCD00041007 InChI Key: QYURIFWAOPAPAJ-UHFFFAOYSA-L Synonym: 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt PubChem CID: 24212014 IUPAC Name: disodium naphthalen-1-yl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1
| PubChem CID | 24212014 |
|---|---|
| CAS | 207569-06-0 |
| Molecular Weight (g/mol) | 268.12 |
| MDL Number | MFCD00041007 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt |
| IUPAC Name | disodium naphthalen-1-yl phosphate |
| InChI Key | QYURIFWAOPAPAJ-UHFFFAOYSA-L |
| Molecular Formula | C10H7Na2O4P |
Vinyl Cinnamate (stabilized with MEHQ) 99.0+%, TCI America™
CAS: 3098-92-8 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD00059324 InChI Key: WGXGKXTZIQFQFO-CMDGGOBGSA-N Synonym: Cinnamic Acid Vinyl Ester PubChem CID: 5371819 IUPAC Name: ethenyl (E)-3-phenylprop-2-enoate SMILES: C=COC(=O)C=CC1=CC=CC=C1
| PubChem CID | 5371819 |
|---|---|
| CAS | 3098-92-8 |
| Molecular Weight (g/mol) | 174.199 |
| MDL Number | MFCD00059324 |
| SMILES | C=COC(=O)C=CC1=CC=CC=C1 |
| Synonym | Cinnamic Acid Vinyl Ester |
| IUPAC Name | ethenyl (E)-3-phenylprop-2-enoate |
| InChI Key | WGXGKXTZIQFQFO-CMDGGOBGSA-N |
| Molecular Formula | C11H10O2 |
Ethyl 3-Methylcrotonate 97.0+%, TCI America™
CAS: 638-10-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00009187 InChI Key: UTXVCHVLDOLVPC-UHFFFAOYSA-N Synonym: 3,3-Dimethylacrylic Acid Ethyl Ester, Ethyl 3,3-Dimethylacrylate, Ethyl 3-Methyl-2-butenoate, 3-Methylcrotonic Acid Ethyl Ester, 3-Methyl-2-butenoic Acid Ethyl Ester PubChem CID: 12516 IUPAC Name: ethyl 3-methylbut-2-enoate SMILES: CCOC(=O)C=C(C)C
| PubChem CID | 12516 |
|---|---|
| CAS | 638-10-8 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00009187 |
| SMILES | CCOC(=O)C=C(C)C |
| Synonym | 3,3-Dimethylacrylic Acid Ethyl Ester, Ethyl 3,3-Dimethylacrylate, Ethyl 3-Methyl-2-butenoate, 3-Methylcrotonic Acid Ethyl Ester, 3-Methyl-2-butenoic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-methylbut-2-enoate |
| InChI Key | UTXVCHVLDOLVPC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Methyl 3-(4-Hydroxyphenyl)propionate 98.0+%, TCI America™
CAS: 5597-50-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00071577 InChI Key: XRAMJHXWXCMGJM-UHFFFAOYSA-N PubChem CID: 79706 IUPAC Name: methyl 3-(4-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=C(C=C1)O
| PubChem CID | 79706 |
|---|---|
| CAS | 5597-50-2 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00071577 |
| SMILES | COC(=O)CCC1=CC=C(C=C1)O |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)propanoate |
| InChI Key | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl Trichloroacetate 96.0+%, TCI America™
CAS: 598-99-2 Molecular Formula: C3H3Cl3O2 Molecular Weight (g/mol): 177.405 MDL Number: MFCD00000794 InChI Key: VHFUHRXYRYWELT-UHFFFAOYSA-N Synonym: Trichloroacetic Acid Methyl Ester PubChem CID: 11739 IUPAC Name: methyl 2,2,2-trichloroacetate SMILES: COC(=O)C(Cl)(Cl)Cl
| PubChem CID | 11739 |
|---|---|
| CAS | 598-99-2 |
| Molecular Weight (g/mol) | 177.405 |
| MDL Number | MFCD00000794 |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| Synonym | Trichloroacetic Acid Methyl Ester |
| IUPAC Name | methyl 2,2,2-trichloroacetate |
| InChI Key | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| Molecular Formula | C3H3Cl3O2 |
Dimethyl Decahydro-1,4-naphthalenedicarboxylate (mixture of isomers) 97.0+%, TCI America™
CAS: 3068-03-9 Molecular Formula: C14H22O4 Molecular Weight (g/mol): 254.33 InChI Key: ZBJLWSVNFCKFTB-UHFFFAOYNA-N Synonym: Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 91658998 IUPAC Name: dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate SMILES: COC(=O)C1CCC(C2C1CCCC2)C(=O)OC
| PubChem CID | 91658998 |
|---|---|
| CAS | 3068-03-9 |
| Molecular Weight (g/mol) | 254.33 |
| SMILES | COC(=O)C1CCC(C2C1CCCC2)C(=O)OC |
| Synonym | Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate |
| InChI Key | ZBJLWSVNFCKFTB-UHFFFAOYNA-N |
| Molecular Formula | C14H22O4 |
Methyl 2-Thiophenecarboxylate 99.0+%, TCI America™
CAS: 5380-42-7 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD00016895 InChI Key: PGBFYLVIMDQYMS-UHFFFAOYSA-N Synonym: methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl PubChem CID: 79340 IUPAC Name: methyl thiophene-2-carboxylate SMILES: COC(=O)C1=CC=CS1
| PubChem CID | 79340 |
|---|---|
| CAS | 5380-42-7 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD00016895 |
| SMILES | COC(=O)C1=CC=CS1 |
| Synonym | methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl |
| IUPAC Name | methyl thiophene-2-carboxylate |
| InChI Key | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
Vinyl 4-tert-Butylbenzoate 98.0+%, TCI America™
CAS: 15484-80-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00080692 InChI Key: ZLHVSEPPILCZHH-UHFFFAOYSA-N Synonym: 4-tert-Butylbenzoic Acid Vinyl Ester PubChem CID: 84940 IUPAC Name: ethenyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C
| PubChem CID | 84940 |
|---|---|
| CAS | 15484-80-7 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00080692 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C |
| Synonym | 4-tert-Butylbenzoic Acid Vinyl Ester |
| IUPAC Name | ethenyl 4-tert-butylbenzoate |
| InChI Key | ZLHVSEPPILCZHH-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
Isoamyl 4-Methoxycinnamate 95.0+%, TCI America™
CAS: 71617-10-2 Molecular Formula: C15H20O3 Molecular Weight (g/mol): 248.322 MDL Number: MFCD00583856 InChI Key: UBNYRXMKIIGMKK-RMKNXTFCSA-N Synonym: 4-Methoxycinnamic Acid Isoamyl Ester, Isopentyl 4-Methoxycinnamate, 4-Methoxycinnamic Acid Isopentyl Ester PubChem CID: 1549789 IUPAC Name: 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate SMILES: CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC
| PubChem CID | 1549789 |
|---|---|
| CAS | 71617-10-2 |
| Molecular Weight (g/mol) | 248.322 |
| MDL Number | MFCD00583856 |
| SMILES | CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC |
| Synonym | 4-Methoxycinnamic Acid Isoamyl Ester, Isopentyl 4-Methoxycinnamate, 4-Methoxycinnamic Acid Isopentyl Ester |
| IUPAC Name | 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| InChI Key | UBNYRXMKIIGMKK-RMKNXTFCSA-N |
| Molecular Formula | C15H20O3 |
Methyl 3,3-Dimethoxypropionate 98.0+%, TCI America™
CAS: 7424-91-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.158 MDL Number: MFCD00010650 InChI Key: SMCVPMKCDDNUCQ-UHFFFAOYSA-N PubChem CID: 81924 IUPAC Name: methyl 3,3-dimethoxypropanoate SMILES: COC(CC(=O)OC)OC
| PubChem CID | 81924 |
|---|---|
| CAS | 7424-91-1 |
| Molecular Weight (g/mol) | 148.158 |
| MDL Number | MFCD00010650 |
| SMILES | COC(CC(=O)OC)OC |
| IUPAC Name | methyl 3,3-dimethoxypropanoate |
| InChI Key | SMCVPMKCDDNUCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O4 |
Benzyl Cinnamate 98.0+%, TCI America™
CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (2E)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
| PubChem CID | 15558051 |
|---|---|
| CAS | 103-41-3 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00004789,MFCD00004789,MFCD00004789 |
| SMILES | O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1 |
| Synonym | benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z |
| IUPAC Name | benzyl (2E)-3-phenylprop-2-enoate |
| InChI Key | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
| Molecular Formula | C16H14O2 |
Methyl 4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 54640-02-7 Molecular Formula: C9H18ClNO2 Molecular Weight (g/mol): 207.698 MDL Number: MFCD03093748 InChI Key: PZPSRTWFJCGJLP-UHFFFAOYSA-N Synonym: 4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride PubChem CID: 12721445 IUPAC Name: methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride SMILES: COC(=O)C1CCC(CC1)CN.Cl
| PubChem CID | 12721445 |
|---|---|
| CAS | 54640-02-7 |
| Molecular Weight (g/mol) | 207.698 |
| MDL Number | MFCD03093748 |
| SMILES | COC(=O)C1CCC(CC1)CN.Cl |
| Synonym | 4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride |
| InChI Key | PZPSRTWFJCGJLP-UHFFFAOYSA-N |
| Molecular Formula | C9H18ClNO2 |
Dimethyl cis-1,2-Cyclohexanedicarboxylate 96.0+%, TCI America™
CAS: 1687-29-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00043768,MFCD21602391 InChI Key: AIACXWOETVLBIA-UHFFFAOYNA-N Synonym: cis-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester PubChem CID: 642993 IUPAC Name: 1,2-dimethyl cyclohexane-1,2-dicarboxylate SMILES: COC(=O)C1CCCCC1C(=O)OC
| PubChem CID | 642993 |
|---|---|
| CAS | 1687-29-2 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00043768,MFCD21602391 |
| SMILES | COC(=O)C1CCCCC1C(=O)OC |
| Synonym | cis-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | 1,2-dimethyl cyclohexane-1,2-dicarboxylate |
| InChI Key | AIACXWOETVLBIA-UHFFFAOYNA-N |
| Molecular Formula | C10H16O4 |