Home Nitriles 3-Hydroxyisonicotinonitrile

3-Hydroxyisonicotinonitrile

CAS No.:
87032-82-4
Catalog Number:
AG004JX7
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
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Product Description
Catalog Number:
AG004JX7
Chemical Name:
3-Hydroxyisonicotinonitrile
CAS Number:
87032-82-4
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD13175206
IUPAC Name:
3-hydroxypyridine-4-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
InChI Key:
WHPBWFPVRFLVMZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1O
Properties
Complexity:
137  
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:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties