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17825-15-9

17825-15-9 | 3-Quinolinecarboxylic acid, 4-hydroxy-7-(phenylmethoxy)-, ethyl ester

CAS No: 17825-15-9 Catalog No: AG0025VH MDL No:

Product Description

Catalog Number:
AG0025VH
Chemical Name:
3-Quinolinecarboxylic acid, 4-hydroxy-7-(phenylmethoxy)-, ethyl ester
CAS Number:
17825-15-9
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
ethyl 4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C19H17NO4/c1-2-23-19(22)16-11-20-17-10-14(8-9-15(17)18(16)21)24-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,21)
InChI Key:
AJFAAXMCFXOPOM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)ccc(c2)OCc1ccccc1

Properties

Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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