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94341-89-6

94341-89-6 | 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-1-propyl-

CAS No: 94341-89-6 Catalog No: AG00II2Q MDL No:MFCD03217095

Product Description

Catalog Number:
AG00II2Q
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-1-propyl-
CAS Number:
94341-89-6
MDL Number:
MFCD03217095
IUPAC Name:
4,6-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N2O/c1-4-5-13-9(3)6-8(2)10(7-12)11(13)14/h6H,4-5H2,1-3H3
InChI Key:
HNASVZNXLZNCLM-UHFFFAOYSA-N

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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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