YI6
Summary
Name: | 2-(4-ethoxyphenyl)ethanoic acid |
Formula: | C10 H12 O3 |
Formal charge: | 0 |
Formula weight: | 180.2 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 2-(4-ethoxyphenyl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
InChIKey | InChI | 1.03 | ZVVWZNFSMIFGEP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(CC(O)=O)cc1 |
SMILES | CACTVS | 3.385 | CCOc1ccc(CC(O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1ccc(cc1)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1ccc(cc1)CC(=O)O |