HBS
Summary
| Name: | S,3-HYDROXYBUTAN-2-ONE |
| Formula: | C4 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 88.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (3S)-3-hydroxybutan-2-one |
| OpenEye OEToolkits | 1.6.1 | (3S)-3-hydroxybutan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(C)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](O)C(C)=O |
| SMILES | CACTVS | 3.352 | C[CH](O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](C(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ROWKJAVDOGWPAT-VKHMYHEASA-N |
