Home Carboxys 4-hydroxy-6,7-dimethoxyquinoline-3-carboxylic acid

4-hydroxy-6,7-dimethoxyquinoline-3-carboxylic acid

CAS No.:
26893-22-1
Catalog Number:
AG00BFKX
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
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Product Description
Catalog Number:
AG00BFKX
Chemical Name:
4-hydroxy-6,7-dimethoxyquinoline-3-carboxylic acid
CAS Number:
26893-22-1
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD11099574
IUPAC Name:
6,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO5/c1-17-9-3-6-8(4-10(9)18-2)13-5-7(11(6)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
OHEYCDPOWKNXLX-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)ncc(c2O)C(=O)O
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