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71058-94-1 | 3-Quinolinecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester
CAS No: 71058-94-1 Catalog No: AG005ESD MDL No:
Product Description
Catalog Number:
AG005ESD
Chemical Name:
3-Quinolinecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester
CAS Number:
71058-94-1
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
ethyl 4-methyl-2-phenylquinoline-3-carboxylate
InChI:
InChI=1S/C19H17NO2/c1-3-22-19(21)17-13(2)15-11-7-8-12-16(15)20-18(17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChI Key:
DWDLYPUBZQXXAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(nc2c(c1C)cccc2)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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