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23391-99-3 | [1,1'-Bicyclohexyl]-4,4'-dione
CAS No: 23391-99-3 Catalog No: AG002N27 MDL No:MFCD00210694
Product Description
Catalog Number:
AG002N27
Chemical Name:
[1,1'-Bicyclohexyl]-4,4'-dione
CAS Number:
23391-99-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD00210694
IUPAC Name:
4-(4-oxocyclohexyl)cyclohexan-1-one
InChI:
InChI=1S/C12H18O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-10H,1-8H2
InChI Key:
OQIDYCVWAFZRTR-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)C1CCC(=O)CC1
EC Number:
607-226-4
NSC Number:
100201
Properties
Complexity:
199
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:
1.1
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