3-Propylidenephthalide

CAS	17369-59-4
Synonyms	Butylphthalide impurity 14
IUPAC Name	(3Z)-3-Propylidene-2-benzofuran-1-one
Molecular Weight	174.2
Canonical SMILES	CCC=C1C2=CC=CC=C2C(=O)O1
InChI	InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
InChI Key	NGSZDVVHIGAMOJ-YHYXMXQVSA-N
Boiling Point	170 °C
Melting Point	5 °C
Flash Point	>230 °F
Purity	95%+
Density	1.122 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	174.068079557
Isomeric SMILES	CC/C=C\1/C2=CC=CC=C2C(=O)O1
Monoisotopic Mass	174.068079557
Physical State	Slightly viscous liquid
Refractive Index	n20/D 1.586(lit.)
Topological Polar Surface Area	26.3 Ų