5-Hydroxymethyl-Furfural
Representations & DB's id
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| ChEBI: | CHEBI:412516 | |
|---|---|---|
| ChEMBL: | CHEMBL185885 | |
| PubChem: | 237332 | |
| IUPAC: | 5-(hydroxymethyl)furan-2-carbaldehyde | |
| Standard InChI: | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 | |
| Standard InChI Key: | NOEGNKMFWQHSLB-UHFFFAOYSA-N | |
| SMILES: | OCc1ccc(o1)C=O | |
Molecular propeties
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| AlogP: | 0.58 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 126.03 | |
| Topological polar surface area: | 50.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |