1,5-Diphenylpenta-1,4-dien-3-one

Catalog Number	ACM538589-1
CAS	538-58-9
Structure
Synonyms	Dibenzylideneacetone; 1,5-Diphenyl-3-pentadienone
IUPAC Name	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Molecular Weight	234.29
Molecular Formula	C17H14O
Canonical SMILES	C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2;
InChI	WMKGGPCROCCUDY-PHEQNACWSA-N
InChI Key	InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
Boiling Point	400.7 °C at 760 mmHg
Melting Point	107-113 °C
Purity	98%
Appearance	Solid
Storage	0-6°C
Complexity	272
Covalently-Bonded Unit Count	1
EC Number	208-697-5
Exact Mass	234.104g/mol
Heavy Atom Count	18
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2
Monoisotopic Mass	234.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2