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1260652-10-5

1260652-10-5 | 3-Quinolinecarboxylic acid, 1,2-dihydro-6-methoxy-2-oxo-, ethyl ester

CAS No: 1260652-10-5 Catalog No: AG000QY5 MDL No:

Product Description

Catalog Number:
AG000QY5
Chemical Name:
3-Quinolinecarboxylic acid, 1,2-dihydro-6-methoxy-2-oxo-, ethyl ester
CAS Number:
1260652-10-5
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
ethyl 6-methoxy-2-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-3-18-13(16)10-7-8-6-9(17-2)4-5-11(8)14-12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChI Key:
CDOXKTQEORECLA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc(OC)ccc2[nH]c1=O

Properties

Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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