FUX
Summary
| Name: | 5-HYDROXYMETHYL-FURFURAL |
| Formula: | C6 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 126.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(hydroxymethyl)furan-2-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | 5-(hydroxymethyl)furan-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc1oc(cc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCc1oc(C=O)cc1 |
| SMILES | CACTVS | 3.341 | OCc1oc(C=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(oc1CO)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(oc1CO)C=O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
| InChIKey | InChI | 1.03 | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
