BU1
Summary
| Name: | 1,4-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 | butane-1,4-diol |
| OpenEye OEToolkits | 1.5.0 | butane-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCCCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCCCO |
| SMILES | CACTVS | 3.341 | OCCCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCO)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCO)CO |
| InChI | InChI | 1.03 | InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 |
| InChIKey | InChI | 1.03 | WERYXYBDKMZEQL-UHFFFAOYSA-N |
