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95891-30-8 | 3-Pyridinecarbonitrile, 6-hydroxy-
CAS No: 95891-30-8 Catalog No: AG00IJI3 MDL No:MFCD06656489
Product Description
Catalog Number:
AG00IJI3
Chemical Name:
3-Pyridinecarbonitrile, 6-hydroxy-
CAS Number:
95891-30-8
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD06656489
IUPAC Name:
6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChI Key:
CCQUUHVUQQFTGV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)O
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:
2
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:
-0.4
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