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Home Carboxys 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

CAS No.:
51727-05-0
Catalog Number:
AG00D99C
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00D99C
Chemical Name:
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
51727-05-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD02642444
IUPAC Name:
5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12)
InChI Key:
RRZTUQQCXRBPRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c([nH]c1=O)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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
Properties