77026-92-7
Product Name:
(±)-JASMONICACID
Formula:
C12H18O3
Synonyms:
(±)-1α,2β-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid
Inquiry
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.