sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 2,6-Dimethylquinoline-4-carboxylic acid

2,6-Dimethylquinoline-4-carboxylic acid

CAS No.:
104175-33-9
Catalog Number:
AG0084UN
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG0084UN
Chemical Name:
2,6-Dimethylquinoline-4-carboxylic acid
CAS Number:
104175-33-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00487548
IUPAC Name:
2,6-dimethylquinoline-4-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-7-3-4-11-9(5-7)10(12(14)15)6-8(2)13-11/h3-6H,1-2H3,(H,14,15)
InChI Key:
PPFCNYVQJDEENH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cc(n2)C)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
2,6-Dimethyl-4-(1,3,4-oxadiazol-2-yl)quinoline. Acta crystallographica. Section E, Structure reports online 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties