Home Nitriles 4-(4-Oxocyclohexyl)benzonitrile

4-(4-Oxocyclohexyl)benzonitrile

CAS No.:
73204-07-6
Catalog Number:
AG00FBHR
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$175
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$588
- +
Product Description
Catalog Number:
AG00FBHR
Chemical Name:
4-(4-Oxocyclohexyl)benzonitrile
CAS Number:
73204-07-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD06410874
IUPAC Name:
4-(4-oxocyclohexyl)benzonitrile
InChI:
InChI=1S/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2
InChI Key:
XFRVACCGEKPJDI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCC(=O)CC1
EC Number:
615-929-2
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties