CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Merck Index] |
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Chemical Classes | Biological Agents -> Plant Oils and Extracts |
COMPUTED DESCRIPTORS
Molecular Weight | 210.27 g/mol |
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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.