HC4
Summary
| Name: | 4'-HYDROXYCINNAMIC ACID |
| Synonyms: | PARA-COUMARIC ACID |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-(4-hydroxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc(/C=C/C(=O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| InChIKey | InChI | 1.06 | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C\c1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1/C=C/C(=O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C=CC(=O)O)O |
