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144446-83-3 | Cyclopentanecarboxylic acid, 1,3-dimethyl-2-oxo-, butyl ester
CAS No: 144446-83-3 Catalog No: AG001JJX MDL No:
Product Description
Catalog Number:
AG001JJX
Chemical Name:
Cyclopentanecarboxylic acid, 1,3-dimethyl-2-oxo-, butyl ester
CAS Number:
144446-83-3
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
butyl 1,3-dimethyl-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C12H20O3/c1-4-5-8-15-11(14)12(3)7-6-9(2)10(12)13/h9H,4-8H2,1-3H3
InChI Key:
WWPGJWFCSUCRNN-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1(C)CCC(C1=O)C
Properties
Complexity:
260
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:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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