MML
Summary
| Name: | 1-methyl-4-(1-methylethyl)benzene |
| Synonyms: | p-cymene |
| Formula: | C10 H14 |
| Formal charge: | 0 |
| Formula weight: | 134.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-4-(propan-2-yl)benzene |
| OpenEye OEToolkits | 1.7.0 | 1-methyl-4-propan-2-yl-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1ccc(C)cc1 |
| SMILES | CACTVS | 3.370 | CC(C)c1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | InChI | 1.03 | HFPZCAJZSCWRBC-UHFFFAOYSA-N |
