8N2
Summary
| Name: | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid |
| Formula: | C11 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 208.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+ |
| InChIKey | InChI | 1.03 | QAXPUWGAGVERSJ-VOTSOKGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(\C=C\C(O)=O)c1OC |
| SMILES | CACTVS | 3.385 | COc1cccc(C=CC(O)=O)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1OC)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1OC)C=CC(=O)O |
