3-(2-cyanoacetyl)benzonitrile


Chemical Name: 3-(2-cyanoacetyl)benzonitrile
CAS Number: 21667-63-0
Product Number: AG00BFK6(AGN-PC-042YOJ)
Synonyms:
MDL No:
Molecular Formula: C10H6N2O
Molecular Weight: 170.1674

Identification/Properties


Computed Properties
Molecular Weight:
170.171g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
170.048g/mol
Monoisotopic Mass:
170.048g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
291
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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