FER
Summary
| Name: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID |
| Synonyms: | FERULIC ACID |
| Formula: | C10 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 194.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(\C=C\C(O)=O)ccc1O |
| SMILES | CACTVS | 3.341 | COc1cc(C=CC(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| InChIKey | InChI | 1.03 | KSEBMYQBYZTDHS-HWKANZROSA-N |
