R3O
Summary
| Name: | 2-methoxycarbonylbenzoic acid |
| Synonyms: | monomethyl phthalate |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methoxycarbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccccc1C(=O)O |
