CIN
Summary
| Name: | 4-CARBOXYCINNAMIC ACID |
| Formula: | C10 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 192.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(E)-2-carboxyethenyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(\C=C\C(=O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)/C=C/c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C=Cc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C\C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+ |
| InChIKey | InChI | 1.03 | HAEJSGLKJYIYTB-ZZXKWVIFSA-N |
