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122855-37-2 | 3-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester
CAS No: 122855-37-2 Catalog No: AG000JLN MDL No:MFCD18416648
Product Description
Catalog Number:
AG000JLN
Chemical Name:
3-Quinolinecarboxylic acid, 8-hydroxy-, ethyl ester
CAS Number:
122855-37-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD18416648
IUPAC Name:
ethyl 8-hydroxyquinoline-3-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)9-6-8-4-3-5-10(14)11(8)13-7-9/h3-7,14H,2H2,1H3
InChI Key:
JONFCTYYAHIBKK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)cccc2O
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:
2.1
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