KOJ
Summary
| Name: | 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE |
| Formula: | C6 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 142.109 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one |
| OpenEye OEToolkits | 1.5.0 | 5-hydroxy-2-(hydroxymethyl)pyran-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=C(OC=C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCC1=CC(=O)C(=CO1)O |
| SMILES | CACTVS | 3.341 | OCC1=CC(=O)C(=CO1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(OC=C(C1=O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(OC=C(C1=O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 |
| InChIKey | InChI | 1.03 | BEJNERDRQOWKJM-UHFFFAOYSA-N |
