EN1
Summary
| Name: | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(/O)=C\c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)\C(O)=C/c1ccc(O)cc1 |
| SMILES | CACTVS | 3.352 | OC(=O)C(O)=Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1/C=C(\C(=O)O)/O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C=C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+ |
| InChIKey | InChI | 1.03 | GQYBCIHRWMPOOF-VMPITWQZSA-N |
