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84462-85-1 | 3-Pyridinecarbonitrile, 1,2-dihydro-5-(3-methoxyphenyl)-6-methyl-2-oxo-
CAS No: 84462-85-1 Catalog No: AG004SFH MDL No:
Product Description
Catalog Number:
AG004SFH
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-5-(3-methoxyphenyl)-6-methyl-2-oxo-
CAS Number:
84462-85-1
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
5-(3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2O2/c1-9-13(7-11(8-15)14(17)16-9)10-4-3-5-12(6-10)18-2/h3-7H,1-2H3,(H,16,17)
InChI Key:
HLHMGCZBOVLBBU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(C#N)c(=O)[nH]c1C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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