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100-48-1 | 4-Cyanopyridine
CAS No: 100-48-1 Catalog No: AG000067 MDL No:MFCD00006417
Product Description
Catalog Number:
AG000067
Chemical Name:
4-Cyanopyridine
CAS Number:
100-48-1
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
MDL Number:
MFCD00006417
IUPAC Name:
pyridine-4-carbonitrile
InChI:
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChI Key:
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1
EC Number:
202-856-2
UNII:
BY3226D010
NSC Number:
60681
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
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