Home Nitriles 2-Pyridinecarbonitrile,4-hydroxy-(9CI)

2-Pyridinecarbonitrile,4-hydroxy-(9CI)

CAS No.:
475057-86-4
Catalog Number:
AG00DHYV
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
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Product Description
Catalog Number:
AG00DHYV
Chemical Name:
2-Pyridinecarbonitrile,4-hydroxy-(9CI)
CAS Number:
475057-86-4
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD08062850
IUPAC Name:
4-oxo-1H-pyridine-2-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-4-5-3-6(9)1-2-8-5/h1-3H,(H,8,9)
InChI Key:
ICOWSSBPPBHNCA-UHFFFAOYSA-N
SMILES:
Oc1cc(ncc1)C#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  
Properties