EGM
Summary
Name: | 4-ethylbenzoic acid |
Formula: | C9 H10 O2 |
Formal charge: | 0 |
Formula weight: | 150.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-ethylbenzoic acid |
OpenEye OEToolkits | 1.7.6 | 4-ethylbenzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)CC |
InChI | InChI | 1.03 | InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
InChIKey | InChI | 1.03 | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1ccc(cc1)C(O)=O |
SMILES | CACTVS | 3.370 | CCc1ccc(cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)C(=O)O |