P2D
Summary
| Name: | pentane-2,4-dione |
| Formula: | C5 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 100.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pentane-2,4-dione |
| OpenEye OEToolkits | 1.7.6 | pentane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 |
| InChIKey | InChI | 1.03 | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CC(C)=O |
| SMILES | CACTVS | 3.385 | CC(=O)CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)CC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)CC(=O)C |
