Summary

IMPPAT Phytochemical identifier: IMPHY001367

Phytochemical name: 3-Furoic acid

Synonymous chemical names:
furan-3-carboxylic acid

External chemical identifiers:
CID:10268, ChEBI:30846, ZINC:ZINC000000158556, FDASRS:88A3S7RG98, SureChEMBL:SCHEMBL142183, MolPort-000-142-217

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Chemical structure information

SMILES:
OC(=O)c1cocc1

InChI:
InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

InChIKey:
IHCCAYCGZOLTEU-UHFFFAOYSA-N

DeepSMILES:
OC=O)ccocc5

Functional groups:
cC(=O)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: Organoheterocyclic compounds

ClassyFire Class: Furans

ClassyFire Subclass: Furoic acid and derivatives

NP-Likeness score: 0.569

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Chemical structure download