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77026-92-7

77026-92-7 structural image
Product Name: (±)-JASMONICACID
Formula: C12H18O3
Synonyms: (±)-1α,2β-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Merck Index]
Chemical Classes Biological Agents -> Plant Oils and Extracts

COMPUTED DESCRIPTORS

Molecular Weight 210.27 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 210.125594432 g/mol
Monoisotopic Mass 210.125594432 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 268
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Jasmonic acid is an oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. It has a role as a plant metabolite and a member of jasmonates. It is a conjugate acid of a jasmonate(1-). It is an enantiomer of a (+)-jasmonic acid.