K3Z
Summary
| Name: | (E)-3-(4-methoxyphenyl)acrylic acid |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(4-methoxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ |
| InChIKey | InChI | 1.03 | AFDXODALSZRGIH-QPJJXVBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(/C=C/C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(C=CC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C=CC(=O)O |
