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303146-69-2

303146-69-2 | 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile

CAS No: 303146-69-2 Catalog No: AG00INJH MDL No:MFCD00793200

Product Description

Catalog Number:
AG00INJH
Chemical Name:
5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile
CAS Number:
303146-69-2
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD00793200
IUPAC Name:
5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C16H14N2O3/c1-10-13(11(2)19)8-12(9-17)16(18-10)21-15-7-5-4-6-14(15)20-3/h4-8H,1-3H3
InChI Key:
LSGZCNRFDORMEA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1Oc1ccccc1OC)C

Properties

Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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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