3-Hexenoic acid

CAS	1577-18-0
Structure
Synonyms	Hydrosorbic acid
IUPAC Name	(E)-Hex-3-enoic acid
Molecular Weight	114.14
Canonical SMILES	CCC=CCC(=O)O
InChI	InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
InChI Key	XXHDAWYDNSXJQM-ONEGZZNKSA-N
Boiling Point	118-119 °C
Melting Point	11-12 °C
Flash Point	>230 °F
Purity	98%+
Density	0.963 g/mL at 25 °C(lit.)
Exact Mass	114.068079557
Isomeric SMILES	CC/C=C/CC(=O)O
Monoisotopic Mass	114.068079557
Refractive Index	n20/D 1.44(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų