TOM
Summary
| Name: | 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID |
| Formula: | C11 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3Z)-4-(2-methoxyphenyl)-2-oxobut-3-enoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-methoxyphenyl)-2-oxo-but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)/C=C\c1ccccc1OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccccc1\C=C/C(=O)C(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccccc1C=CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccccc1C=CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccccc1C=CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6- |
| InChIKey | InChI | 1.03 | QGTBUESLYPYXRT-SREVYHEPSA-N |
