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Home > Pyridines > 100367-56-4
100367-56-4 | 3-Pyridinecarbonitrile, 1,4-dihydro-4-oxo-
CAS No: 100367-56-4 Catalog No: AG0001QP MDL No:MFCD11046297
Product Description
Catalog Number:
AG0001QP
Chemical Name:
3-Pyridinecarbonitrile, 1,4-dihydro-4-oxo-
CAS Number:
100367-56-4
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD11046297
IUPAC Name:
4-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,(H,8,9)
InChI Key:
ZSGWFOMHWZIAEW-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]cc1C#N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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