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Home > Pyridines > 339109-41-0
339109-41-0 | 1-ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 339109-41-0 Catalog No: AG00IZ3A MDL No:MFCD00202805
Product Description
Catalog Number:
AG00IZ3A
Chemical Name:
1-ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
339109-41-0
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD00202805
IUPAC Name:
1-ethyl-2-oxo-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2O/c1-2-16-13(11-6-4-3-5-7-11)9-8-12(10-15)14(16)17/h3-9H,2H2,1H3
InChI Key:
CDQBJTATVKXQJT-UHFFFAOYSA-N
SMILES:
CCn1c(ccc(c1=O)C#N)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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