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100-54-9 | 3-Cyanopyridine
CAS No: 100-54-9 Catalog No: AG00007C MDL No:MFCD00006372
Product Description
Catalog Number:
AG00007C
Chemical Name:
3-Cyanopyridine
CAS Number:
100-54-9
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
MDL Number:
MFCD00006372
IUPAC Name:
pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChI Key:
GZPHSAQLYPIAIN-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1
EC Number:
202-863-0
UNII:
X64V0K6260
NSC Number:
17558
Properties
Complexity:
111
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:
0.2
Literature
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