Molecular Identity
ACROLEIN
prop-2-enal
PubChem CID: 7847
Acrolein is an enal that is prop-2-ene with an oxo group at position 1. It has a role as a herbicide, a toxin and a human xenobiotic metabolite.
2D Structure
Properties
C3H4O
Molecular Formula
56.06
Molecular Weight
g/mol
56.0262
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
17.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
30
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ACROLEINAcrylaldehyde2-Propenal107-02-8Propenalprop-2-enalAcrylic aldehydeAqualinAllyl aldehydeMagnacide HAcraldehydeEthylene aldehydeAqualine2-Propen-1-oneSlimicide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ACROLEIN
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