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64801-65-6

64801-65-6 | 3(2H)-Pyridazinone, 4,5-diethoxy-2-methyl-

CAS No: 64801-65-6 Catalog No: AG00H68G MDL No:

Product Description

Catalog Number:
AG00H68G
Chemical Name:
3(2H)-Pyridazinone, 4,5-diethoxy-2-methyl-
CAS Number:
64801-65-6
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
4,5-diethoxy-2-methylpyridazin-3-one
InChI:
InChI=1S/C9H14N2O3/c1-4-13-7-6-10-11(3)9(12)8(7)14-5-2/h6H,4-5H2,1-3H3
InChI Key:
JTKPWWGMRMWTMH-UHFFFAOYSA-N
SMILES:
CCOc1cnn(c(=O)c1OCC)C

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

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

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