Carboxylic acids and derivatives
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Ethyl 4,4,4-Trifluorocrotonate 98.0+%, TCI America™
CAS: 25597-16-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00009903 InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N Synonym: ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e PubChem CID: 5371261 IUPAC Name: ethyl (2E)-4,4,4-trifluorobut-2-enoate SMILES: CCOC(=O)\C=C\C(F)(F)F
| PubChem CID | 5371261 |
|---|---|
| CAS | 25597-16-4 |
| Molecular Weight (g/mol) | 168.12 |
| MDL Number | MFCD00009903 |
| SMILES | CCOC(=O)\C=C\C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e |
| IUPAC Name | ethyl (2E)-4,4,4-trifluorobut-2-enoate |
| InChI Key | ZKRJCMKLCDWROR-ONEGZZNKSA-N |
| Molecular Formula | C6H7F3O2 |
Ethyl 2-Aminobenzothiazole-6-carboxylate 98.0+%, TCI America™
CAS: 50850-93-6 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.262 MDL Number: MFCD00102724 InChI Key: VYJSGJXWKSDUSG-UHFFFAOYSA-N Synonym: ethyl 2-aminobenzo d thiazole-6-carboxylate,ethyl 2-amino-benzothiazole-6-carboxylate,ethyl 2-aminobenzothiazole-6-carboxylate,2-amino-benzothiazole-6-carboxylic acid ethyl ester,6-benzothiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-6-ethoxycarbonylbenzothiazole,ethyl2-amino-benzothiazole-6-carboxylate,2-aminobenzothiazole-6-carboxylic acid ethyl ester,2-amino benzo thiazole-6-carboxylic acid ethyl ester,3kid PubChem CID: 601008 IUPAC Name: ethyl 2-amino-1,3-benzothiazole-6-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N
| PubChem CID | 601008 |
|---|---|
| CAS | 50850-93-6 |
| Molecular Weight (g/mol) | 222.262 |
| MDL Number | MFCD00102724 |
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N |
| Synonym | ethyl 2-aminobenzo d thiazole-6-carboxylate,ethyl 2-amino-benzothiazole-6-carboxylate,ethyl 2-aminobenzothiazole-6-carboxylate,2-amino-benzothiazole-6-carboxylic acid ethyl ester,6-benzothiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-6-ethoxycarbonylbenzothiazole,ethyl2-amino-benzothiazole-6-carboxylate,2-aminobenzothiazole-6-carboxylic acid ethyl ester,2-amino benzo thiazole-6-carboxylic acid ethyl ester,3kid |
| IUPAC Name | ethyl 2-amino-1,3-benzothiazole-6-carboxylate |
| InChI Key | VYJSGJXWKSDUSG-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2S |
Ethyl Gallate 98.0+%, TCI America™
CAS: 831-61-8 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00016430 InChI Key: VFPFQHQNJCMNBZ-UHFFFAOYSA-N Synonym: ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 PubChem CID: 13250 ChEBI: CHEBI:87247 IUPAC Name: ethyl 3,4,5-trihydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 13250 |
|---|---|
| CAS | 831-61-8 |
| Molecular Weight (g/mol) | 198.174 |
| ChEBI | CHEBI:87247 |
| MDL Number | MFCD00016430 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 |
| IUPAC Name | ethyl 3,4,5-trihydroxybenzoate |
| InChI Key | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
Glyceryl Ascorbate 95.0+%, TCI America™
CAS: 1120360-13-5 Molecular Formula: C9H14O8 Molecular Weight (g/mol): 250.20 MDL Number: MFCD28386108 InChI Key: KQWQJCDIYBPYNT-UHFFFAOYNA-N Synonym: 2-O-(2,3-Dihydroxypropyl)-L-ascorbic Acid PubChem CID: 133556317 IUPAC Name: 5-(1,2-dihydroxyethyl)-3-(2,3-dihydroxypropoxy)-4-hydroxy-2,5-dihydrofuran-2-one SMILES: OCC(O)COC1=C(O)C(OC1=O)C(O)CO
| PubChem CID | 133556317 |
|---|---|
| CAS | 1120360-13-5 |
| Molecular Weight (g/mol) | 250.20 |
| MDL Number | MFCD28386108 |
| SMILES | OCC(O)COC1=C(O)C(OC1=O)C(O)CO |
| Synonym | 2-O-(2,3-Dihydroxypropyl)-L-ascorbic Acid |
| IUPAC Name | 5-(1,2-dihydroxyethyl)-3-(2,3-dihydroxypropoxy)-4-hydroxy-2,5-dihydrofuran-2-one |
| InChI Key | KQWQJCDIYBPYNT-UHFFFAOYNA-N |
| Molecular Formula | C9H14O8 |
Amyl Formate 95.0+%, TCI America™
CAS: 638-49-3 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00040440 InChI Key: DIQMPQMYFZXDAX-UHFFFAOYSA-N Synonym: Formic Acid Amyl Ester, Pentyl Formate PubChem CID: 12529 IUPAC Name: pentyl formate SMILES: CCCCCOC=O
| PubChem CID | 12529 |
|---|---|
| CAS | 638-49-3 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00040440 |
| SMILES | CCCCCOC=O |
| Synonym | Formic Acid Amyl Ester, Pentyl Formate |
| IUPAC Name | pentyl formate |
| InChI Key | DIQMPQMYFZXDAX-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
4'-Chloroacetanilide 98.0+%, TCI America™
CAS: 539-03-7 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD00000612 InChI Key: GGUOCFNAWIODMF-UHFFFAOYSA-N Synonym: 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide PubChem CID: 10871 ChEBI: CHEBI:116915 IUPAC Name: N-(4-chlorophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)Cl
| PubChem CID | 10871 |
|---|---|
| CAS | 539-03-7 |
| Molecular Weight (g/mol) | 169.608 |
| ChEBI | CHEBI:116915 |
| MDL Number | MFCD00000612 |
| SMILES | CC(=O)NC1=CC=C(C=C1)Cl |
| Synonym | 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide |
| IUPAC Name | N-(4-chlorophenyl)acetamide |
| InChI Key | GGUOCFNAWIODMF-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO |
4-Methyl-2-pentyl Acetate 98.0+%, TCI America™
CAS: 108-84-9 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00053723 InChI Key: CPIVYSAVIPTCCX-UHFFFAOYNA-N Synonym: Acetic Acid 1,3-Dimethylbutyl Ester, Acetic Acid 4-Methyl-2-pentyl Ester, 1,3-Dimethylbutyl Acetate PubChem CID: 7959 IUPAC Name: 4-methylpentan-2-yl acetate SMILES: CC(C)CC(C)OC(C)=O
| PubChem CID | 7959 |
|---|---|
| CAS | 108-84-9 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00053723 |
| SMILES | CC(C)CC(C)OC(C)=O |
| Synonym | Acetic Acid 1,3-Dimethylbutyl Ester, Acetic Acid 4-Methyl-2-pentyl Ester, 1,3-Dimethylbutyl Acetate |
| IUPAC Name | 4-methylpentan-2-yl acetate |
| InChI Key | CPIVYSAVIPTCCX-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
3'-Fluoroacetanilide 96.0+%, TCI America™
CAS: 351-28-0 Molecular Formula: C8H8FNO Molecular Weight (g/mol): 153.156 MDL Number: MFCD00017917 InChI Key: AQLLDCFUQXGLHM-UHFFFAOYSA-N Synonym: 3'-fluoroacetanilide,n-3-fluorophenyl acetamide,3-fluoroacetanilide,m-fluoroacetanilide,3-acetamido-1-fluorobenzene,acetanilide, 3'-fluoro,1-fluoro-3-acetamidobenzene,acetamide, n-3-fluorophenyl,acmc-209idd,n-acetyl-3-fluoroaniline PubChem CID: 9594 IUPAC Name: N-(3-fluorophenyl)acetamide SMILES: CC(=O)NC1=CC(=CC=C1)F
| PubChem CID | 9594 |
|---|---|
| CAS | 351-28-0 |
| Molecular Weight (g/mol) | 153.156 |
| MDL Number | MFCD00017917 |
| SMILES | CC(=O)NC1=CC(=CC=C1)F |
| Synonym | 3'-fluoroacetanilide,n-3-fluorophenyl acetamide,3-fluoroacetanilide,m-fluoroacetanilide,3-acetamido-1-fluorobenzene,acetanilide, 3'-fluoro,1-fluoro-3-acetamidobenzene,acetamide, n-3-fluorophenyl,acmc-209idd,n-acetyl-3-fluoroaniline |
| IUPAC Name | N-(3-fluorophenyl)acetamide |
| InChI Key | AQLLDCFUQXGLHM-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO |
2-Phenylethyl Isobutyrate 98.0+%, TCI America™
CAS: 103-48-0 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00026441 InChI Key: JDQVBGQWADMTAM-UHFFFAOYSA-N Synonym: Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester PubChem CID: 7655 ChEBI: CHEBI:87409 IUPAC Name: 2-phenylethyl 2-methylpropanoate SMILES: CC(C)C(=O)OCCC1=CC=CC=C1
| PubChem CID | 7655 |
|---|---|
| CAS | 103-48-0 |
| Molecular Weight (g/mol) | 192.26 |
| ChEBI | CHEBI:87409 |
| MDL Number | MFCD00026441 |
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| Synonym | Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester |
| IUPAC Name | 2-phenylethyl 2-methylpropanoate |
| InChI Key | JDQVBGQWADMTAM-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
Sodium 1-Naphthaleneacetate 96.0+%, TCI America™
CAS: 61-31-4 Molecular Formula: C12H9NaO2 Molecular Weight (g/mol): 208.192 MDL Number: MFCD00064967 InChI Key: CJUUXVFWKYRHAR-UHFFFAOYSA-M Synonym: 1-Naphthylacetic Acid Sodium Salt, 1-Naphthaleneacetic Acid Sodium Salt, Sodium 1-Naphthylacetate, Na-NAA PubChem CID: 23694671 ChEBI: CHEBI:81811 IUPAC Name: sodium;2-naphthalen-1-ylacetate SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]
| PubChem CID | 23694671 |
|---|---|
| CAS | 61-31-4 |
| Molecular Weight (g/mol) | 208.192 |
| ChEBI | CHEBI:81811 |
| MDL Number | MFCD00064967 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+] |
| Synonym | 1-Naphthylacetic Acid Sodium Salt, 1-Naphthaleneacetic Acid Sodium Salt, Sodium 1-Naphthylacetate, Na-NAA |
| IUPAC Name | sodium;2-naphthalen-1-ylacetate |
| InChI Key | CJUUXVFWKYRHAR-UHFFFAOYSA-M |
| Molecular Formula | C12H9NaO2 |
3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride 97.0+%, TCI America™
CAS: 6053-46-9 Molecular Formula: C10H8O6 Molecular Weight (g/mol): 224.168 MDL Number: MFCD22373052 InChI Key: QVEIRZNRYOJFCL-UHFFFAOYSA-N PubChem CID: 22239650 SMILES: C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O
| PubChem CID | 22239650 |
|---|---|
| CAS | 6053-46-9 |
| Molecular Weight (g/mol) | 224.168 |
| MDL Number | MFCD22373052 |
| SMILES | C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O |
| InChI Key | QVEIRZNRYOJFCL-UHFFFAOYSA-N |
| Molecular Formula | C10H8O6 |
1,3-Diiodo-5,5-dimethylhydantoin 97.0+%, TCI America™
CAS: 2232-12-4 Molecular Formula: C5H6I2N2O2 Molecular Weight (g/mol): 379.92 MDL Number: MFCD00020867 InChI Key: RDZHCKRAHUPIFK-UHFFFAOYSA-N Synonym: DIH PubChem CID: 200534 IUPAC Name: 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1I)I)C
| PubChem CID | 200534 |
|---|---|
| CAS | 2232-12-4 |
| Molecular Weight (g/mol) | 379.92 |
| MDL Number | MFCD00020867 |
| SMILES | CC1(C(=O)N(C(=O)N1I)I)C |
| Synonym | DIH |
| IUPAC Name | 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | RDZHCKRAHUPIFK-UHFFFAOYSA-N |
| Molecular Formula | C5H6I2N2O2 |
tert-Butyl Crotonate 98.0+%, TCI America™
CAS: 79218-15-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00059055 InChI Key: QHSPZGZEUDEIQM-AATRIKPKSA-N Synonym: Crotonic Acid tert-Butyl Ester PubChem CID: 5463127 IUPAC Name: tert-butyl (E)-but-2-enoate SMILES: CC=CC(=O)OC(C)(C)C
| PubChem CID | 5463127 |
|---|---|
| CAS | 79218-15-8 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00059055 |
| SMILES | CC=CC(=O)OC(C)(C)C |
| Synonym | Crotonic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl (E)-but-2-enoate |
| InChI Key | QHSPZGZEUDEIQM-AATRIKPKSA-N |
| Molecular Formula | C8H14O2 |
2-Cyanoacetamide 98.0+%, TCI America™
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |
Allyl Cyclohexanepropionate 98.0+%, TCI America™
CAS: 2705-87-5 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00059557 InChI Key: TWXUTZNBHUWMKJ-UHFFFAOYSA-N Synonym: Cyclohexanepropionic Acid Allyl Ester, 3-Cyclohexylpropionic Acid Allyl Ester PubChem CID: 17617 ChEBI: CHEBI:31188 IUPAC Name: prop-2-enyl 3-cyclohexylpropanoate SMILES: C=CCOC(=O)CCC1CCCCC1
| PubChem CID | 17617 |
|---|---|
| CAS | 2705-87-5 |
| Molecular Weight (g/mol) | 196.29 |
| ChEBI | CHEBI:31188 |
| MDL Number | MFCD00059557 |
| SMILES | C=CCOC(=O)CCC1CCCCC1 |
| Synonym | Cyclohexanepropionic Acid Allyl Ester, 3-Cyclohexylpropionic Acid Allyl Ester |
| IUPAC Name | prop-2-enyl 3-cyclohexylpropanoate |
| InChI Key | TWXUTZNBHUWMKJ-UHFFFAOYSA-N |
| Molecular Formula | C12H20O2 |