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151772-66-6 | trans-4'-Methyl[1,1'-bicyclohexyl]-4-one
CAS No: 151772-66-6 Catalog No: AG0035PS MDL No:
Product Description
Catalog Number:
AG0035PS
Chemical Name:
trans-4'-Methyl[1,1'-bicyclohexyl]-4-one
CAS Number:
151772-66-6
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
4-(4-methylcyclohexyl)cyclohexan-1-one
InChI:
InChI=1S/C13H22O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h10-12H,2-9H2,1H3
InChI Key:
RHUNWKYRWMYYMP-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC[C@H](CC1)C1CCC(=O)CC1
EC Number:
604-815-8
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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