Carboxylic acids and derivatives
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Ethyl 2-oxo-4-phenylbutyrate, 90+%
CAS: 64920-29-2 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00037533 InChI Key: STPXIOGYOLJXMZ-UHFFFAOYSA-N Synonym: ethyl 2-oxo-4-phenylbutyrate,ethyl benzylpyruvate,ethyl-2-oxo-4-phenylbutyrate,unii-5ynu9lpt51,5ynu9lpt51,2-oxo-4-phenylbutyric acid ethyl ester,2-oxo-4-phenyl butyric acid ethyl ester,ethyl 2-oxo-4-phenyl-butanoate,2-oxo-4-phenylbutanoic acid ethyl ester,ethyl2-oxo-4-phenylbutyrate PubChem CID: 562087 IUPAC Name: ethyl 2-oxo-4-phenylbutanoate SMILES: CCOC(=O)C(=O)CCC1=CC=CC=C1
| PubChem CID | 562087 |
|---|---|
| CAS | 64920-29-2 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD00037533 |
| SMILES | CCOC(=O)C(=O)CCC1=CC=CC=C1 |
| Synonym | ethyl 2-oxo-4-phenylbutyrate,ethyl benzylpyruvate,ethyl-2-oxo-4-phenylbutyrate,unii-5ynu9lpt51,5ynu9lpt51,2-oxo-4-phenylbutyric acid ethyl ester,2-oxo-4-phenyl butyric acid ethyl ester,ethyl 2-oxo-4-phenyl-butanoate,2-oxo-4-phenylbutanoic acid ethyl ester,ethyl2-oxo-4-phenylbutyrate |
| IUPAC Name | ethyl 2-oxo-4-phenylbutanoate |
| InChI Key | STPXIOGYOLJXMZ-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
1-Naphthaleneacetic Acid, 97%, Spectrum™ Chemical
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CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N IUPAC Name: 2-(naphthalen-1-yl)acetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1
| CAS | 86-87-3 |
|---|---|
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004046 |
| SMILES | OC(=O)CC1=C2C=CC=CC2=CC=C1 |
| IUPAC Name | 2-(naphthalen-1-yl)acetic acid |
| InChI Key | PRPINYUDVPFIRX-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Pivalamide 98.0+%, TCI America™
CAS: 754-10-9 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00008011 InChI Key: XIPFMBOWZXULIA-UHFFFAOYSA-N Synonym: pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide PubChem CID: 12957 IUPAC Name: 2,2-dimethylpropanamide SMILES: CC(C)(C)C(N)=O
| PubChem CID | 12957 |
|---|---|
| CAS | 754-10-9 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00008011 |
| SMILES | CC(C)(C)C(N)=O |
| Synonym | pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide |
| IUPAC Name | 2,2-dimethylpropanamide |
| InChI Key | XIPFMBOWZXULIA-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
3-Aminobenzofuran-2-carboxamide 98.0+%, TCI America™
CAS: 54802-10-7 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.18 MDL Number: MFCD00457147 InChI Key: FXOYSSLDDDZIJN-UHFFFAOYSA-N PubChem CID: 600546 IUPAC Name: 3-amino-1-benzofuran-2-carboxamide SMILES: NC(=O)C1=C(N)C2=CC=CC=C2O1
| PubChem CID | 600546 |
|---|---|
| CAS | 54802-10-7 |
| Molecular Weight (g/mol) | 176.18 |
| MDL Number | MFCD00457147 |
| SMILES | NC(=O)C1=C(N)C2=CC=CC=C2O1 |
| IUPAC Name | 3-amino-1-benzofuran-2-carboxamide |
| InChI Key | FXOYSSLDDDZIJN-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
Ethyl 3-Mercaptopropionate, Approx. 99%, Spectrum™ Chemical
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CAS: 5466-06-8 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.19 InChI Key: CJQWLNNCQIHKHP-UHFFFAOYSA-N IUPAC Name: ethyl 3-sulfanylpropanoate SMILES: CCOC(=O)CCS
| CAS | 5466-06-8 |
|---|---|
| Molecular Weight (g/mol) | 134.19 |
| SMILES | CCOC(=O)CCS |
| IUPAC Name | ethyl 3-sulfanylpropanoate |
| InChI Key | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
(S)-(+)-2-Hydroxy-4-phthalimidobutyric Acid 98.0+%, TCI America™
CAS: 48172-10-7 Molecular Formula: C12H10NO5 Molecular Weight (g/mol): 248.22 MDL Number: MFCD00192213 InChI Key: YWDXODQRCDEZLN-VIFPVBQESA-M Synonym: s-+-2-hydroxy-4-phthalimidobutyric acid,s-4-1,3-dioxoisoindolin-2-yl-2-hydroxybutanoic acid,2s-4-1,3-dioxoisoindolin-2-yl-2-hydroxybutanoic acid,s-+-alpha-hydroxy-1,3-dioxo-2-isoindolinebutyric acid,2s-4-1,3-dioxoisoindol-2-yl-2-hydroxybutanoic acid,pubchem6049,s-+-a-hydroxy-1,3-dioxo-2-isoindolinebutyric acid,s-4-phthalimido-2-hydroxybutyric acid,s-2-hydroxy-4-phthalimidobutyric acid PubChem CID: 688218 IUPAC Name: (2S)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxybutanoate SMILES: O[C@@H](CCN1C(=O)C2=CC=CC=C2C1=O)C([O-])=O
| PubChem CID | 688218 |
|---|---|
| CAS | 48172-10-7 |
| Molecular Weight (g/mol) | 248.22 |
| MDL Number | MFCD00192213 |
| SMILES | O[C@@H](CCN1C(=O)C2=CC=CC=C2C1=O)C([O-])=O |
| Synonym | s-+-2-hydroxy-4-phthalimidobutyric acid,s-4-1,3-dioxoisoindolin-2-yl-2-hydroxybutanoic acid,2s-4-1,3-dioxoisoindolin-2-yl-2-hydroxybutanoic acid,s-+-alpha-hydroxy-1,3-dioxo-2-isoindolinebutyric acid,2s-4-1,3-dioxoisoindol-2-yl-2-hydroxybutanoic acid,pubchem6049,s-+-a-hydroxy-1,3-dioxo-2-isoindolinebutyric acid,s-4-phthalimido-2-hydroxybutyric acid,s-2-hydroxy-4-phthalimidobutyric acid |
| IUPAC Name | (2S)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxybutanoate |
| InChI Key | YWDXODQRCDEZLN-VIFPVBQESA-M |
| Molecular Formula | C12H10NO5 |
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 |
Ethylenediaminetetraacetic Acid Tetrasodium Salt, Solution, Spectrum™ Chemical
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CAS: 64-02-8 Molecular Formula: C10H12N2Na4O8 Molecular Weight (g/mol): 380.17 InChI Key: UEUXEKPTXMALOB-UHFFFAOYSA-J IUPAC Name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| CAS | 64-02-8 |
|---|---|
| Molecular Weight (g/mol) | 380.17 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate |
| InChI Key | UEUXEKPTXMALOB-UHFFFAOYSA-J |
| Molecular Formula | C10H12N2Na4O8 |
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 |
Trimethyl Trimellitate 95.0+%, TCI America™
CAS: 10-1-2459 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.22 MDL Number: MFCD00043629 InChI Key: MJHNUUNSCNRGJE-UHFFFAOYSA-N Synonym: trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm PubChem CID: 17159 IUPAC Name: trimethyl benzene-1,2,4-tricarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC
| PubChem CID | 17159 |
|---|---|
| CAS | 10-1-2459 |
| Molecular Weight (g/mol) | 252.22 |
| MDL Number | MFCD00043629 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| Synonym | trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm |
| IUPAC Name | trimethyl benzene-1,2,4-tricarboxylate |
| InChI Key | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
| Molecular Formula | C12H12O6 |
Disodium EDTA, Dihydrate, FCC, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Edetate Disodium, Dihydrate, BiotechGrade, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Edetate Disodium, Dihydrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Calcium Lactate, Pentahydrate, FCC, EP, USP, 98-101%, Spectrum™ Chemical
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CAS: 5743-47-5 Molecular Formula: C6H20CaO11 Molecular Weight (g/mol): 308.29 MDL Number: MFCD00287281 (5H2O) InChI Key: HPVJXNNKHRNBOY-UHFFFAOYNA-L IUPAC Name: calcium bis(2-hydroxypropanoate) pentahydrate SMILES: O.O.O.O.O.[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O
| CAS | 5743-47-5 |
|---|---|
| Molecular Weight (g/mol) | 308.29 |
| MDL Number | MFCD00287281 (5H2O) |
| SMILES | O.O.O.O.O.[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O |
| IUPAC Name | calcium bis(2-hydroxypropanoate) pentahydrate |
| InChI Key | HPVJXNNKHRNBOY-UHFFFAOYNA-L |
| Molecular Formula | C6H20CaO11 |