Home Other Building Blocks 2-Benzylcyclohexanone

2-Benzylcyclohexanone

CAS No.:
946-33-8
Catalog Number:
AG003GL3
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
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Product Description
Catalog Number:
AG003GL3
Chemical Name:
2-Benzylcyclohexanone
CAS Number:
946-33-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD00051455
IUPAC Name:
2-benzylcyclohexan-1-one
InChI:
InChI=1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChI Key:
CUYLPYBYCYQGCE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1ccccc1
EC Number:
213-420-6
NSC Number:
149930
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
[Thermodynamically controlled deracemization utilizing inclusion complexation]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20081001
Properties