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Home Carboxys Cyclopentanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

Cyclopentanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

CAS No.:
84109-76-2
Catalog Number:
AG008GXQ
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG008GXQ
Chemical Name:
Cyclopentanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
84109-76-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD19301646
IUPAC Name:
tert-butyl 2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7H,4-6H2,1-3H3
InChI Key:
OGIKPUCMXHEUMK-UHFFFAOYSA-N
SMILES:
O=C1CCCC1C(=O)OC(C)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Asymmetric Diels-Alder and Ficini reactions with alkylidene β-ketoesters catalyzed by chiral ruthenium PNNP complexes: mechanistic insight. Journal of the American Chemical Society 20120118
Properties