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

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

CAS No.:
82787-50-6
Catalog Number:
AG008IJA
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG008IJA
Chemical Name:
Cyclopentanecarboxylic acid, 2-oxo-, 1-methylethyl ester
CAS Number:
82787-50-6
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD24688228
IUPAC Name:
propan-2-yl 2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-6(2)12-9(11)7-4-3-5-8(7)10/h6-7H,3-5H2,1-2H3
InChI Key:
MGCQOLOAFQDUJK-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1CCCC1=O)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties