2,4-Pentadienal

Catalog	ACM764409
CAS	764-40-9
Structure
Synonyms	1,3-Pentadiene-5-one
IUPAC Name	(2E)-Penta-2,4-dienal
Molecular Weight	82.1
Molecular Formula	C5H6O
Canonical SMILES	C=CC=CC=O
InChI	InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3+
InChI Key	PPXGQLMPUIVFRE-ONEGZZNKSA-N
Boiling Point	36-37 °C
Purity	95%+
Density	0.845±0.06 g/cm³
Solubility	Soluble in oils
Exact Mass	82.041864811
Isomeric SMILES	C=C/C=C/C=O
Monoisotopic Mass	82.041864811
Odor	Fruity aroma
Physical State	Liquid
Topological Polar Surface Area	17.1 Ų