Home Carboxys 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid

4-hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid

CAS No.:
500349-81-5
Catalog Number:
AG019XDM
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
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Product Description
Catalog Number:
AG019XDM
Chemical Name:
4-hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid
CAS Number:
500349-81-5
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD11868245
IUPAC Name:
5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO5/c1-17-7-3-4-8(18-2)10-9(7)11(14)6(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
UMRUDNVGDOZXDW-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(O)c(cn2)C(=O)O)OC
NSC Number:
109480
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties