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Home Carboxys 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

CAS No.:
24667-08-1
Catalog Number:
AG002OZU
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG002OZU
Chemical Name:
1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
24667-08-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD06447021
IUPAC Name:
1,4,6-trimethyl-2-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-5-4-6(2)10(3)8(11)7(5)9(12)13/h4H,1-3H3,(H,12,13)
InChI Key:
GIKBELMYOXKJOC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(n(c1=O)C)C
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties