8MB
Summary
| Name: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid |
| Formula: | C10 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-(4-methylphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ |
| InChIKey | InChI | 1.03 | RURHILYUWQEGOS-VOTSOKGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C=CC(=O)O |
