[3-Oxo-2-(2-pentenyl)-1-cyclopentyl]aceticacidmethylester

CAS	39924-52-2
Structure
Synonyms	Jasmonic acid methyl ester
IUPAC Name	Methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
Molecular Weight	224.3
Canonical SMILES	CCC=CCC1C(CCC1=O)CC(=O)OC
InChI	InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChI Key	GEWDNTWNSAZUDX-SNAWJCMRSA-N
Boiling Point	110 °C
Flash Point	156 °C
Purity	98%+
Density	1.02 g/mL at 25 °C(lit.)
Solubility	Soluble in oils; slightly soluble in water
Exact Mass	224.1412445
Isomeric SMILES	CC/C=C/CC1C(CCC1=O)CC(=O)OC
Monoisotopic Mass	224.1412445
Physical State	Liquid
Refractive Index	n20/D 1.474(lit.)
Topological Polar Surface Area	43.4 Ų