3-Hexenoic acid, methyl ester

CAS	2396-78-3
Structure
Synonyms	Methyl trans-3-hexenoate
IUPAC Name	Methyl (E)-hex-3-enoate
Molecular Weight	128.17
Canonical SMILES	CCC=CCC(=O)OC
InChI	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChI Key	XEAIHUDTEINXFG-SNAWJCMRSA-N
Boiling Point	169 °C
Melting Point	−62.68 °C
Flash Point	115 °F
Purity	98%+
Density	0.913 g/mL at 25 °C(lit.)
Exact Mass	128.083729621
Isomeric SMILES	CC/C=C/CC(=O)OC
Monoisotopic Mass	128.083729621
Physical State	Liquid
Refractive Index	n20/D 1.4260(lit.)
Topological Polar Surface Area	26.3 Ų