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Home Carboxys Ethyl 2-hydroxyquinoline-3-carboxylate

Ethyl 2-hydroxyquinoline-3-carboxylate

CAS No.:
85870-47-9
Catalog Number:
AG004WVV
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$175
- +
1g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG004WVV
Chemical Name:
Ethyl 2-hydroxyquinoline-3-carboxylate
CAS Number:
85870-47-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00572653
IUPAC Name:
ethyl 2-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
POZIHPKRJFLANV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccccc2[nH]c1=O
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties