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Home > Pyridines > 886362-01-2
886362-01-2 | 4-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 886362-01-2 Catalog No: AG00IVYL MDL No:MFCD08056675
Product Description
Catalog Number:
AG00IVYL
Chemical Name:
4-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
886362-01-2
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD08056675
IUPAC Name:
4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c1-9-2-4-10(5-3-9)11-6-7-15-13(16)12(11)8-14/h2-7H,1H3,(H,15,16)
InChI Key:
ASYPSGGYUVSPSG-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]ccc1c1ccc(cc1)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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