Vanillylidenacetone

CAS	1080-12-2
Structure
Synonyms	4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one
IUPAC Name	(E)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one
Molecular Weight	192.21
Canonical SMILES	CC(=O)C=CC1=CC(=C(C=C1)O)OC
InChI	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChI Key	AFWKBSMFXWNGRE-ONEGZZNKSA-N
Boiling Point	268.19 °C
Melting Point	125-130 °C
Purity	95%+
Density	1.1503 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water
Exact Mass	192.078644241
Isomeric SMILES	CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Monoisotopic Mass	192.078644241
Physical State	Solid
Refractive Index	n20/D 1.460(lit.)
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	46.5 Ų