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Home > Pyridines > 339109-43-2
339109-43-2 | 2-oxo-6-phenyl-1-(prop-2-yn-1-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 339109-43-2 Catalog No: AG00IRD2 MDL No:MFCD00202806
Product Description
Catalog Number:
AG00IRD2
Chemical Name:
2-oxo-6-phenyl-1-(prop-2-yn-1-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
339109-43-2
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
MDL Number:
MFCD00202806
IUPAC Name:
2-oxo-6-phenyl-1-prop-2-ynylpyridine-3-carbonitrile
InChI:
InChI=1S/C15H10N2O/c1-2-10-17-14(12-6-4-3-5-7-12)9-8-13(11-16)15(17)18/h1,3-9H,10H2
InChI Key:
YQHMVRMTTLILGZ-UHFFFAOYSA-N
SMILES:
C#CCn1c(ccc(c1=O)C#N)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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