Benzylideneacetone

Catalog Number	ACM122576-1
CAS	122-57-6
Structure
Synonyms	4-Phenylbut-3-en-2-one
IUPAC Name	(E)-4-phenylbut-3-en-2-one
Molecular Weight	146.19
Molecular Formula	C10H10O
Canonical SMILES	CC(=O)C=CC1=CC=CC=C1
InChI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChI Key	BWHOZHOGCMHOBV-BQYQJAHWSA-N
Boiling Point	260-262 °C
Melting Point	39-42 °C
Purity	98%
Solubility	Soluble in water
Appearance	Crystalline powder
Storage	Store at ≤ 20 °C
Exact Mass	146.073164938
Hydrogen-Bond Acceptor Count	1
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	146.073164938
Rotatable-Bond Count	2
Topological Polar Surface Area	17.1 Ų

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