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79807-95-7

79807-95-7 | 3-Quinolinecarboxylicacid, 4-hydroxy-7-[2-(2-naphthalenyloxy)ethoxy]-

CAS No: 79807-95-7 Catalog No: AG005H8I MDL No:

Product Description

Catalog Number:
AG005H8I
Chemical Name:
3-Quinolinecarboxylicacid, 4-hydroxy-7-[2-(2-naphthalenyloxy)ethoxy]-
CAS Number:
79807-95-7
Molecular Formula:
C22H17NO5
Molecular Weight:
375.3741
IUPAC Name:
7-(2-naphthalen-2-yloxyethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C22H17NO5/c24-21-18-8-7-17(12-20(18)23-13-19(21)22(25)26)28-10-9-27-16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-13H,9-10H2,(H,23,24)(H,25,26)
InChI Key:
ASCGFMFCUMXIEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1O)ccc(c2)OCCOc1ccc2c(c1)cccc2
NSC Number:
307170

Properties

Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.111g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
375.38g/mol
Monoisotopic Mass:
375.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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