Home Carboxys 7-Quinolinecarboxylic acid, 1,4-dihydro-6-methoxy-4-oxo-, methyl ester

7-Quinolinecarboxylic acid, 1,4-dihydro-6-methoxy-4-oxo-, methyl ester

CAS No.:
863786-19-0
Catalog Number:
AG00IE1D
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG00IE1D
Chemical Name:
7-Quinolinecarboxylic acid, 1,4-dihydro-6-methoxy-4-oxo-, methyl ester
CAS Number:
863786-19-0
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD18837812
IUPAC Name:
methyl 6-methoxy-4-oxo-1H-quinoline-7-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-16-11-6-7-9(13-4-3-10(7)14)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)
InChI Key:
GUFWOLGMEYBTHR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc(=O)c2cc1OC
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties