Summary

IMPPAT Phytochemical identifier: IMPHY016951

Phytochemical name: 3-Furaldehyde

Synonymous chemical names:
3-furaldehyde

External chemical identifiers:
CID:10351, ChEMBL:CHEMBL2228160, ChEBI:87609, ZINC:ZINC000002040441, FDASRS:POB632X444, SureChEMBL:SCHEMBL133204, MolPort-000-142-220

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Chemical structure information

SMILES:
O=Cc1cocc1

InChI:
InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H

InChIKey:
AZVSIHIBYRHSLB-UHFFFAOYSA-N

DeepSMILES:
O=Cccocc5

Functional groups:
cC=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.99

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Chemical structure download