Summary

IMPPAT Phytochemical identifier: IMPHY017233

Phytochemical name: Tetrahydro-2-furancarboxaldehyde

Synonymous chemical names:
tetahydrofurfural

External chemical identifiers:
CID:24354, SureChEMBL:SCHEMBL21145, MolPort-001-794-251

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Chemical structure information

SMILES:
O=CC1CCCO1

InChI:
InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2

InChIKey:
BBNYLDSWVXSNOQ-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCO5

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: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP-Likeness score: 1.266

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Chemical structure download