2HC
Summary
| Name: | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID |
| Synonyms: | TRANS-2-HYDROXYCINNAMIC ACID O-COUMARIC ACID |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C=C/c1ccccc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)\C=C\c1ccccc1O |
| SMILES | CACTVS | 3.341 | OC(=O)C=Cc1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)\C=C\C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C=CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
| InChIKey | InChI | 1.03 | PMOWTIHVNWZYFI-AATRIKPKSA-N |
