BUQ
Summary
| Name: | 4-HYDROXY-2-BUTANONE |
| Formula: | C4 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 88.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-hydroxybutan-2-one |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxybutan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C)CCO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CCO |
| SMILES | CACTVS | 3.341 | CC(=O)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | LVSQXDHWDCMMRJ-UHFFFAOYSA-N |
