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64306-19-0 | 4-Pyridinecarbonitrile, sulfate
CAS No: 64306-19-0 Catalog No: AG00H91U MDL No:
Product Description
Catalog Number:
AG00H91U
Chemical Name:
4-Pyridinecarbonitrile, sulfate
CAS Number:
64306-19-0
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
IUPAC Name:
pyridine-4-carbonitrile;sulfuric acid
InChI:
InChI=1S/C6H4N2.H2O4S/c7-5-6-1-3-8-4-2-6;1-5(2,3)4/h1-4H;(H2,1,2,3,4)
InChI Key:
PNVMUDLLPSGEBK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.N#Cc1ccncc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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