Home Nitriles 2-benzoylMalononitrile

2-benzoylMalononitrile

CAS No.:
46177-21-3
Catalog Number:
AG00DLEZ
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
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Product Description
Catalog Number:
AG00DLEZ
Chemical Name:
2-benzoylMalononitrile
CAS Number:
46177-21-3
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD00050442
IUPAC Name:
2-benzoylpropanedinitrile
InChI:
InChI=1S/C10H6N2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9H
InChI Key:
TYILDUOIQJLXMU-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1ccccc1)C#N
NSC Number:
162041
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Tyrphostins reduce chemotherapy-induced intestinal injury in mice: assessment by a biochemical assay. British journal of cancer 20050131
Properties