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Home > Pyridines > 1153513-61-1
1153513-61-1 | 6-(ethenesulfonyl)pyridine-3-carbonitrile
CAS No: 1153513-61-1 Catalog No: AG01BBVF MDL No:MFCD12172401
Product Description
Catalog Number:
AG01BBVF
Chemical Name:
6-(ethenesulfonyl)pyridine-3-carbonitrile
CAS Number:
1153513-61-1
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD12172401
IUPAC Name:
6-ethenylsulfonylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H6N2O2S/c1-2-13(11,12)8-4-3-7(5-9)6-10-8/h2-4,6H,1H2
InChI Key:
LLDMTHLVWMQACP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)S(=O)(=O)C=C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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