Home Nitriles 2-(2-Oxo-2-p-tolylethyl)malononitrile

2-(2-Oxo-2-p-tolylethyl)malononitrile

CAS No.:
26454-80-8
Catalog Number:
AG00CDUK
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
- +
250mg
95%
In Stock USA
United States
$252
- +
1g
95%
In Stock USA
United States
$504
- +
5g
95%
In Stock USA
United States
$1512
- +
Product Description
Catalog Number:
AG00CDUK
Chemical Name:
2-(2-Oxo-2-p-tolylethyl)malononitrile
CAS Number:
26454-80-8
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD00477088
IUPAC Name:
2-[2-(4-methylphenyl)-2-oxoethyl]propanedinitrile
InChI:
InChI=1S/C12H10N2O/c1-9-2-4-11(5-3-9)12(15)6-10(7-13)8-14/h2-5,10H,6H2,1H3
InChI Key:
CNFZHBDTYRQXSY-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccc(cc1)C)C#N
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties