R7Q
Summary
| Name: | 2-methyl-1-(4-methylphenyl)propan-1-one |
| Synonyms: | 2,4'-Dimethylpropiophenone |
| Formula: | C11 H14 O |
| Formal charge: | 0 |
| Formula weight: | 162.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-1-(4-methylphenyl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | InChI | 1.03 | VLKIRFAISMBUCB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)c1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)c1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)C(C)C |
