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88284-13-3

88284-13-3 | 3-Quinolinecarboxylic acid, 2-ethoxy-

CAS No: 88284-13-3 Catalog No: AG0049IL MDL No:

Product Description

Catalog Number:
AG0049IL
Chemical Name:
3-Quinolinecarboxylic acid, 2-ethoxy-
CAS Number:
88284-13-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-ethoxyquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-2-16-11-9(12(14)15)7-8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3,(H,14,15)
InChI Key:
QCHYXCVMLLIGTA-UHFFFAOYSA-N
SMILES:
CCOc1nc2ccccc2cc1C(=O)O

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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