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17844-66-5

17844-66-5 | [1,1'-Bicyclohexyl]-3,5-dione

CAS No: 17844-66-5 Catalog No: AG00261R MDL No:

Product Description

Catalog Number:
AG00261R
Chemical Name:
[1,1'-Bicyclohexyl]-3,5-dione
CAS Number:
17844-66-5
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
5-cyclohexylcyclohexane-1,3-dione
InChI:
InChI=1S/C12H18O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h9-10H,1-8H2
InChI Key:
LCYBPPUTWMUXAX-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)C1CCCCC1

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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