C9C
Summary
| Name: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
| Synonyms: | monohydroxyethyl terephthalate |
| Formula: | C10 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 210.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | BCBHDSLDGBIFIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCOC(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCOC(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)O)C(=O)OCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)O)C(=O)OCCO |
