AG002PNT

24851-98-7 | Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

AG002PNT

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CAS Number	24851-98-7
Catalog Number	AG002PNT(AGN-PC-0A1SAU)
Chemical Name	Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
EC Number	246-495-9
FEMA Number	3408
IUPAC Name	methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChI	InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
InChI Key	KVWWIYGFBYDJQC-UHFFFAOYSA-N
MDL Number	MFCD00085362
Molecular Formula	C13H22O3
Molecular Weight	226.3120
SMILES	O=C(OC)CC1C(CCCCC)C(CC1)=O
Synonyms	(+)-(1R,2S)-methyl dihydrojasmonate, Hedione, methyldihydrojasmonate, 24851-98-7, methyl 2-(3-oxo-2-pentylcyclopentyl)acetate, Hedione, Methyl dihydrojasmonate, Kharismal, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, Methyl (3-oxo-2-pentylcyclopentyl)acetate, FEMA No. 3408, Methyl 3-oxo-2-pentylcyclopentaneacetate, DIHYDROJASMONIC ACID, METHYL ESTER, Methyl (2-pentyl-3-oxocyclopentyl)acetate, EINECS 246-495-9, Methyl 3-oxo-2-pentyl-cyclopentaneacetate, KVWWIYGFBYDJQC-UHFFFAOYSA-N, AK114175, DSSTox_CID_9325, DSSTox_RID_78763, DSSTox_GSID_29325, 2-Amylcyclopentan-1-one-3-acetic Acid Methyl Ester, W-107278, CAS-24851-98-7, methyl 2-(3-oxo-2-pentyl-cyclopentyl)acetate, Cepionate, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2R)-, Hedione(MDJ), methyl dihydro jasmonate extra EPI (CIS), Spectrum_001583, methyl dihydro jasmonate, AC1L2TPV, Spectrum2_000558, Spectrum3_001924, Spectrum4_001758, Spectrum5_000616, Dihydrojasmonic acid methyl, EC 246-495-9, AC1Q6DI3, BSPBio_003524, KBioGR_002236, KBioSS_002063, MLS002696002, SCHEMBL113649, SPECTRUM1504910, SPBio_000635, CYC017, CHEMBL1530328, DTXSID2029325, CTK8H8936, KBio2_002063, KBio2_004631, KBio2_007199, KBio3_002748, HMS1617K17, BB_NC-00203, Tox21_202172, Tox21_303588, BBL009815, CCG-38726, FD7202, STK072613, AKOS001683947, DS-6422, MCULE-7597345136, SDCCGMLS-0066789.P001, KS-0000020U, methyl 3-oxo-2-pentylcyclopentylacetate, methyl 2-pentyl-3-oxo-cyclopentylacetate, NCGC00095846-01, NCGC00095846-02, NCGC00095846-03, NCGC00257324-01, NCGC00259721-01, 128087-96-7, AN-18724, AN-18887, LS-57824, SMR000387079, AX8045218, EU-0083698, FT-0624961, Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate, UNM000000712401, SR-05000002474, SR-05000002474-1, 3-oxo-2-pentyl-cyclopentane-acetic acid methyl ester, Methyl dihydrojasmonate, mixture of cis and trans, >=96%, FG, Methyl dihydrojasmonate, mixture of cis and trans, analytical standard, Methyldihydrojasmonate, trans-(-)-Hedione, UNII-3GW44CIE3Y, UNII-XM1C2C5MMN, Dihydrojasmonic acid methyl ester, (-)-Methyl dihydrojasmonate, 3GW44CIE3Y, Methyl trans-dihydrojasmonate, (1R,2R)-Methyl dihydrojasmonate, C13H22O3, methyl(2-amyl-3-oxocyclopentyl)acetate, EINECS 220-112-5, AR-1J6315, CID102861, C13-H22-O3, methyl 2-pentyl-3-oxocyclopentyl-1-acetate, Methyl2-(3-oxo-2-pentylcyclopentyl)acetate, D1431, Methyl dihydrojasmonate (cis-andtrans-mixture), methyl 3 - oxo - 2 - pentylcyclopentaneacetate, 3-Oxo-2-pentylcyclopentaneacetic acid methyl ester, 2630-39-9, Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R-trans)-, Methyl (1R- trans)- 3- oxo- 2- pentylcyclopentaneacetate, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (-)-, 84859-11-0,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.157g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.316g/mol
Monoisotopic Mass	226.157g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number