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(±)-9,10-Dihydrojasmonic Acid

CAT: 0572-TRC-D454265-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D454265-100MGSize:100 mg
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CAS Number
3572-64-3
Synonyms
(±)-3-Oxo-2-pentyl-cyclopentane-1-acetic Acid; DJA; 3-Oxo-2-pentylcyclopentaneacetic Acid; (±)-9,10-Dihydrojasmonic Acid; 2-Pentyl-3-oxocyclopentyl-1-acetic Acid; 2-Pentyl-3-oxocyclopentylacetic Acid; 2-n-Pentyl-3-oxocyclopentylacetic Acid; 3-Carboxymethyl-2-pentylcyclopentanone; 3-Oxo-2-pentyl-cyclopentaneacetic Acid
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CCCCCC1C(CCC1=O)CC(=O)O
Molecular Formula
C12H20O3
Molecular Weight
212.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cyclopentaneacetic acid, 3-oxo-2-pentyl-

9,10-Dihydrojasmonic acid is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid.

CAS Number3572-64-3
PubChem CID107126
IUPAC Name2-(3-oxo-2-pentylcyclopentyl)acetic acid
Molecular FormulaC12H20O3
Molecular Weight212.28
XLogP2.3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
CCCCCC1C(CCC1=O)CC(=O)O
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
InChIKey
PQEYTAGBXNEUQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopentaneacetic acid, 3-oxo-2-pentyl-
CAS: 3572-64-3
CID: 107126
Formula: C12H20O3
MW: 212.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.28
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass212.14124450
Monoisotopic Mass212.14124450
Topological Polar Surface Area54.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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