02Q
Summary
Name: | 3-(2-methylphenyl)propanoic acid |
Formula: | C10 H12 O2 |
Formal charge: | 0 |
Formula weight: | 164.201 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(2-methylphenyl)propanoic acid |
OpenEye OEToolkits | 1.7.2 | 3-(2-methylphenyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccccc1C |
InChI | InChI | 1.03 | InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChIKey | InChI | 1.03 | JIRKNEAMPYVPTD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccccc1CCC(O)=O |
SMILES | CACTVS | 3.370 | Cc1ccccc1CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1CCC(=O)O |