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13180-36-4 | 3-Quinolinecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
CAS No: 13180-36-4 Catalog No: AG000ZQQ MDL No:
Product Description
Catalog Number:
AG000ZQQ
Chemical Name:
3-Quinolinecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
CAS Number:
13180-36-4
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C18H15NO3/c1-2-22-18(21)15-16(12-8-4-3-5-9-12)19-14-11-7-6-10-13(14)17(15)20/h3-11H,2H2,1H3,(H,19,20)
InChI Key:
KAXJGTFTNGYKFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(nc2c(c1O)cccc2)c1ccccc1
NSC Number:
152205
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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