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Home > Pyridines > 142499-40-9
142499-40-9 | 6-(3-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 142499-40-9 Catalog No: AG00INGV MDL No:MFCD00215117
Product Description
Catalog Number:
AG00INGV
Chemical Name:
6-(3-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
142499-40-9
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD00215117
IUPAC Name:
6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O2/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14)13(16)15-12/h2-7H,1H3,(H,15,16)
InChI Key:
XTPHTAULHCTSQU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccc(c(=O)[nH]1)C#N
Properties
Complexity:
428
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:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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