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127286-04-8 | 6-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS No: 127286-04-8 Catalog No: AG000WVR MDL No:
Product Description
Catalog Number:
AG000WVR
Chemical Name:
6-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
127286-04-8
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
ethyl 4-oxo-1H-quinoline-6-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)8-3-4-10-9(7-8)11(14)5-6-13-10/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
HJEXAEIHROLMFS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(=O)cc[nH]2
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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