AG00C9X0

3572-64-3 | (+/-)-Dihydrojasmonic acid

AG00C9X0

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CAS Number	3572-64-3
Catalog Number	AG00C9X0(AGN-PC-00S9S0)
Chemical Name	(+/-)-Dihydrojasmonic acid
EC Number	222-687-8
IUPAC Name	2-(3-oxo-2-pentylcyclopentyl)acetic acid
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)
InChI Key	PQEYTAGBXNEUQL-UHFFFAOYSA-N
MDL Number	MFCD08276352
Molecular Formula	C12H20O3
Molecular Weight	212.2854
SMILES	O=C(O)CC1CCC(=O)C1CCCCC
Synonyms	Dihydrojasmonic acid, 3-Oxo-2-pentylcyclopentaneacetic acid, 3572-64-3, (+/-)-Dihydrojasmonic Acid, 2-(3-oxo-2-pentylcyclopentyl)acetic acid, W-109908, 76968-33-7, (3-oxo-2-pentylcyclopentyl)acetic acid, Alethea, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, DihydrojasmonicAcid, EINECS 222-687-8, SpecPlus_000429, Spectrum2_001650, Spectrum3_001615, Spectrum4_001665, Spectrum5_000569, AC1L31HQ, AC1Q6DI2, BSPBio_003249, KBioGR_002189, DivK1c_006525, SCHEMBL216000, SPECTRUM1504104, SPBio_001779, CHEMBL3039153, CTK4H5265, KBio1_001469, KBio3_002469, PQEYTAGBXNEUQL-UHFFFAOYSA-N, KS-000016GF, 2-Amyl-3-oxocyclopentaneacetic Acid, CCG-38766, MFCD18781916, 2-pentyl-3-oxo-cyclopentylacetic acid, 2-Amyl-3-(carboxymethyl)cyclopentanone, 3-oxo-2-pentyl-cyclopentaneacetic acid, ACM3572643, SDCCGMLS-0066883.P001, 3-(Carboxymethyl)-2-pentylcyclopentanone, NCGC00095830-01, NCGC00095830-02, TR-024628, D3225, 2-(3-oxo-2-(pentanyl)cyclopentyl)acetic acid, SR-05000002455, 3-Oxo-2-pentyl-(1R-trans)-Cyclopentaneacetic acid, SR-05000002455-1, (-)-Dihydrojasmonic acid, 9,10-Dihydrojasmonic acid, (-)-9,10-dihydrojasmonic acid, KST-1A0213, AR-1A4270, CID107126, C12-H20-O3, [(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid, 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, (1R,2R)- (9CI), 6279-10-3,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.141g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.289g/mol
Monoisotopic Mass	212.141g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number