TOH
Summary
| Name: | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID |
| Formula: | C10 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 192.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3Z)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-hydroxyphenyl)-2-oxo-but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)/C=C\c1ccccc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)\C=C/c1ccccc1O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)C=Cc1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C=CC(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C=CC(=O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14) |
| InChIKey | InChI | 1.03 | HMXOGGUFCBUALL-UHFFFAOYSA-N |
