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Home Nitriles 2-Phenylmalononitrile

2-Phenylmalononitrile

CAS No.:
3041-40-5
Catalog Number:
AG00301I
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$170
- +
250mg
95%
1 week
United States
$323
- +
1g
95%
1 week
United States
$725
- +
Product Description
Catalog Number:
AG00301I
Chemical Name:
2-Phenylmalononitrile
CAS Number:
3041-40-5
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00970100
IUPAC Name:
2-phenylpropanedinitrile
InChI:
InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H
InChI Key:
OFCTVAYVCDCQDA-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)C#N
UNII:
5M3K6FPU6O
NSC Number:
10742
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
The conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, followed by IR spectra, ab initio and DFT force field calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20031101
Properties