3-Nonenoic acid, methyl ester

CAS	36781-67-6
Structure
Synonyms	Methyltrans-3-nonenoate
IUPAC Name	Methyl (E)-non-3-enoate
Molecular Weight	170.25
Canonical SMILES	CCCCCC=CCC(=O)OC
InChI	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChI Key	MTDCXFZGUVZRSQ-BQYQJAHWSA-N
Flash Point	191 °F
Purity	95%+
Density	0.885 g/mL at 25 °C(lit.)
Solubility	Insoluble in water
Exact Mass	170.130679813
Isomeric SMILES	CCCCC/C=C/CC(=O)OC
Monoisotopic Mass	170.130679813
Physical State	Liquid
Refractive Index	n20/D 1.436(lit.)
Topological Polar Surface Area	26.3 Ų