TCA
Summary
| Name: | PHENYLETHYLENECARBOXYLIC ACID |
| Formula: | C9 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 148.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-phenylprop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-phenylprop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)\C=C\c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
| InChIKey | InChI | 1.03 | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
