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Home > Pyridines > 338976-87-7
338976-87-7 | 1-(4-acetylphenyl)-1,4-dihydropyridin-4-one
CAS No: 338976-87-7 Catalog No: AG00ISKE MDL No:MFCD00139359
Product Description
Catalog Number:
AG00ISKE
Chemical Name:
1-(4-acetylphenyl)-1,4-dihydropyridin-4-one
CAS Number:
338976-87-7
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00139359
IUPAC Name:
1-(4-acetylphenyl)pyridin-4-one
InChI:
InChI=1S/C13H11NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-9H,1H3
InChI Key:
IQTLNPSUZKAAKX-UHFFFAOYSA-N
SMILES:
O=c1ccn(cc1)c1ccc(cc1)C(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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