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94805-51-3 | 2-Oxo-1,2-dihydropyridine-4-carbonitrile
CAS No: 94805-51-3 Catalog No: AG0036OA MDL No:MFCD04037920
Product Description
Catalog Number:
AG0036OA
Chemical Name:
2-Oxo-1,2-dihydropyridine-4-carbonitrile
CAS Number:
94805-51-3
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD04037920
IUPAC Name:
2-oxo-1H-pyridine-4-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,(H,8,9)
InChI Key:
QCOIIYBOBZFBJE-UHFFFAOYSA-N
SMILES:
N#Cc1cc[nH]c(=O)c1
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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