Cas no 87682-83-5 (Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester)
87682-83-5 structure
Product Name:Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester
CAS No:87682-83-5
MF:C11H18O3
MW:198.258823871613
CID:653580
PubChem ID:71412364
Update Time:2025-04-19
Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester
- methyl 2-butan-2-yl-5-oxocyclopentane-1-carboxylate
- DTXSID60831918
- 87682-83-5
- Methyl 2-(butan-2-yl)-5-oxocyclopentane-1-carboxylate
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- Inchi： 1S/C11H18O3/c1-4-7(2)8-5-6-9(12)10(8)11(13)14-3/h7-8,10H,4-6H2,1-3H3
- InChI Key： BZVWZLFFKHHBAC-UHFFFAOYSA-N
- SMILES： O=C1CCC(C(C)CC)C1C(=O)OC
Computed Properties
- Exact Mass: 198.125594432g/mol
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 43.4?2
Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
87682-83-5 (Cyclopentanecarboxylic acid, 2-(1-methylpropyl)-5-oxo-, methyl ester) Related Products
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 24851-98-7(Methyl dihydrojasmonate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 32249-35-7(Methyl 3-cyclopropyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 42558-54-3(Methyl 4-methyl-3-oxopentanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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