BGQ
Summary
| Name: | 2-HYDROXY BUTANE-1,4-DIOL |
| Formula: | C4 H9 O3 |
| Formal charge: | 0 |
| Formula weight: | 105.112 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-butane-1,2,4-triol |
| OpenEye OEToolkits | 1.7.6 | (3R)-4-$l^{1}-oxidanylbutane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | ARXKVVRQIIOZGF-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O]C[C@H](O)CCO |
| SMILES | CACTVS | 3.385 | [O]C[CH](O)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CO)[C@H](C[O])O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CO)C(C[O])O |
