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1261629-96-2 | 7-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester
CAS No: 1261629-96-2 Catalog No: AG000RVW MDL No:MFCD18416630
Product Description
Catalog Number:
AG000RVW
Chemical Name:
7-Quinolinecarboxylic acid, 4-hydroxy-, ethyl ester
CAS Number:
1261629-96-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD18416630
IUPAC Name:
ethyl 4-oxo-1H-quinoline-7-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)8-3-4-9-10(7-8)13-6-5-11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
RSWKNDWIXJZVHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nccc2O
Properties
Complexity:
324
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:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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