1MI
Summary
| Name: | 2-(hydroxymethyl)butane-1,4-diol |
| Formula: | C5 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 120.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(hydroxymethyl)butane-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H12O3/c6-2-1-5(3-7)4-8/h5-8H,1-4H2 |
| InChIKey | InChI | 1.03 | SYNPRNNJJLRHTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC(CO)CO |
| SMILES | CACTVS | 3.385 | OCCC(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CO)C(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CO)C(CO)CO |
