BGQ
Summary
| Name: | 2-HYDROXY BUTANE-1,4-DIOL |
| Formula: | C4 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 106.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-butane-1,2,4-triol |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-butane-1,2,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)CCO |
| InChI | InChI | 1.06 | InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | ARXKVVRQIIOZGF-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | OCC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CO)[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CO)C(CO)O |
