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Home > Pyridines > 528813-14-1
528813-14-1 | 3-Pyridinecarbonitrile, 1,6-dihydro-2-mercapto-6-oxo- (9CI)
CAS No: 528813-14-1 Catalog No: AG00E82U MDL No:
Product Description
Catalog Number:
AG00E82U
Chemical Name:
3-Pyridinecarbonitrile, 1,6-dihydro-2-mercapto-6-oxo- (9CI)
CAS Number:
528813-14-1
IUPAC Name:
6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2OS/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
InChI Key:
BCLDWKPJVMPCLL-UHFFFAOYSA-N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.171g/mol
Monoisotopic Mass:
152.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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