70V
Summary
| Name: | 2-methylcyclohexane-1,3-dione |
| Formula: | C7 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 126.153 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methylcyclohexane-1,3-dione |
| OpenEye OEToolkits | 2.0.5 | 2-methylcyclohexane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1C(CCCC1=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | VSGJHHIAMHUZKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1C(=O)CCCC1=O |
| SMILES | CACTVS | 3.385 | CC1C(=O)CCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1C(=O)CCCC1=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1C(=O)CCCC1=O |
