Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000106

Phytochemical name: Methacrolein

Synonymous chemical names:
2-methyl-2-propenal

External chemical identifiers:
CID:CID_6562, ChEMBL:CHEMBL4063095, ChEBI:CHEBI:88384, ZINC:ZINC000001586526, FDASRS:9HRB24892H, SureChEMBL:SCHEMBL32678, MolPort-001-793-011

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Chemical structure information

SMILES:
CC(=C)C=O

InChI:
InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

InChIKey:
STNJBCKSHOAVAJ-UHFFFAOYSA-N

DeepSMILES:
CC=C)C=O

Functional groups:
C=C(C)C=O

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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: 1.877

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Chemical structure download