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1704-19-4 | 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CAS No: 1704-19-4 Catalog No: AG01E99Q MDL No:MFCD02731121
Product Description
Catalog Number:
AG01E99Q
Chemical Name:
2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CAS Number:
1704-19-4
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD02731121
IUPAC Name:
2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H8N2O/c1-5-3-8(11)10-6(2)7(5)4-9/h3H,1-2H3,(H,10,11)
InChI Key:
OSLDZOOVQHCMAM-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1C)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/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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