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 |
