0XR
Summary
| Name: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Synonyms: | ethyl caffeate |
| Formula: | C11 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 208.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.7.6 | ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)\C=C\c1cc(O)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ |
| InChIKey | InChI | 1.03 | WDKYDMULARNCIS-GQCTYLIASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)/C=C/c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | CCOC(=O)C=Cc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)/C=C/c1ccc(c(c1)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)C=Cc1ccc(c(c1)O)O |
