Summary

IMPPAT Phytochemical identifier: IMPHY013821

Phytochemical name: Furan-2,5-dicarbaldehyde

Synonymous chemical names:
2,5-furandicarboxaldehyde

External chemical identifiers:
CID:69980, ChEBI:83385, ZINC:ZINC000001613506, FDASRS:L4HT8N2Z72, SureChEMBL:SCHEMBL51391, MolPort-003-846-712

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Chemical structure information

SMILES:
O=Cc1ccc(o1)C=O

InChI:
InChI=1S/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H

InChIKey:
PXJJKVNIMAZHCB-UHFFFAOYSA-N

DeepSMILES:
O=Ccccco5)C=O

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: 0.27

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Chemical structure download