Home Nitriles 6-Hydroxynicotinonitrile

6-Hydroxynicotinonitrile

CAS No.:
95891-30-8
Catalog Number:
AG00IJI3
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$31
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Product Description
Catalog Number:
AG00IJI3
Chemical Name:
6-Hydroxynicotinonitrile
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  
Properties