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Home > Pyridines > 127581-31-1
127581-31-1 | 3-Pyridinecarbonitrile, 1,6-dihydro-4-hydroxy-2-methyl-6-oxo-5-phenyl-
CAS No: 127581-31-1 Catalog No: AG000X6U MDL No:
Product Description
Catalog Number:
AG000X6U
Chemical Name:
3-Pyridinecarbonitrile, 1,6-dihydro-4-hydroxy-2-methyl-6-oxo-5-phenyl-
CAS Number:
127581-31-1
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O2/c1-8-10(7-14)12(16)11(13(17)15-8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16,17)
InChI Key:
CFPPPMIHTUGGAG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)[nH]c(=O)c(c1O)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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