Home Other Building Blocks Cycloheptanone, 2-phenyl-

Cycloheptanone, 2-phenyl-

CAS No.:
14996-78-2
Catalog Number:
AG001M63
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
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Product Description
Catalog Number:
AG001M63
Chemical Name:
Cycloheptanone, 2-phenyl-
CAS Number:
14996-78-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD00121705
IUPAC Name:
2-phenylcycloheptan-1-one
InChI:
InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
PVHNKILPLXXDDZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCC1c1ccccc1
EC Number:
239-083-5
NSC Number:
80682
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:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties