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 |