L5D
Summary
Name: | 3-(3-methylphenyl)benzoic acid |
Formula: | C14 H12 O2 |
Formal charge: | 0 |
Formula weight: | 212.244 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-(3-methylphenyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16) |
InChIKey | InChI | 1.03 | BJVLFJADOVATRU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)c2cccc(c2)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)c2cccc(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cccc(c2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cccc(c2)C(=O)O |