BU2
Summary
| Name: | 1,3-BUTANEDIOL |
| Formula: | C4 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 90.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-butane-1,3-diol |
| OpenEye OEToolkits | 1.5.0 | (3S)-butane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCCC(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)CCO |
| SMILES | CACTVS | 3.341 | C[CH](O)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCO)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | PUPZLCDOIYMWBV-BYPYZUCNSA-N |
