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93271-59-1 | 2-Hydroxy-4-methylnicotinonitrile
CAS No: 93271-59-1 Catalog No: AG003JC0 MDL No:MFCD00716620
Product Description
Catalog Number:
AG003JC0
Chemical Name:
2-Hydroxy-4-methylnicotinonitrile
CAS Number:
93271-59-1
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD00716620
IUPAC Name:
4-methyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2O/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,1H3,(H,9,10)
InChI Key:
XSJRLWNOZDULKJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc[nH]c1=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/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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