PNH
Summary
| Name: | pentan-2-one |
| Formula: | C5 H10 O |
| Formal charge: | 0 |
| Formula weight: | 86.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pentan-2-one |
| OpenEye OEToolkits | 1.5.0 | pentan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(C)=O |
| SMILES | CACTVS | 3.341 | CCCC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | XNLICIUVMPYHGG-UHFFFAOYSA-N |
