Home Nitriles 4,6-Pyrimidinedicarbonitrile (9CI)

4,6-Pyrimidinedicarbonitrile (9CI)

CAS No.:
50844-89-8
Catalog Number:
AG00E1FD
Molecular Formula:
C6H2N4
Molecular Weight:
130.1069
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Product Description
Catalog Number:
AG00E1FD
Chemical Name:
4,6-Pyrimidinedicarbonitrile (9CI)
CAS Number:
50844-89-8
Molecular Formula:
C6H2N4
Molecular Weight:
130.1069
MDL Number:
MFCD11870748
IUPAC Name:
pyrimidine-4,6-dicarbonitrile
InChI:
InChI=1S/C6H2N4/c7-2-5-1-6(3-8)10-4-9-5/h1,4H
InChI Key:
SGSGBVWZOXLFHI-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc(c1)C#N
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.11g/mol
Monoisotopic Mass:
130.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties