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115663-64-4 | Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxocyclohexyl)-, methyl ester
CAS No: 115663-64-4 Catalog No: AG000GOW MDL No:
Product Description
Catalog Number:
AG000GOW
Chemical Name:
Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxocyclohexyl)-, methyl ester
CAS Number:
115663-64-4
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate
InChI:
InChI=1S/C13H18O4/c1-17-12(16)13(7-3-6-11(13)15)9-4-2-5-10(14)8-9/h9H,2-8H2,1H3
InChI Key:
YWTSRSLPWDTLQU-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCC1=O)C1CCCC(=O)C1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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