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1298069-31-4 | 4-Quinolinecarboxylic acid, 8-methyl-2,3-diphenyl-
CAS No: 1298069-31-4 Catalog No: AG000TOS MDL No:
Product Description
Catalog Number:
AG000TOS
Chemical Name:
4-Quinolinecarboxylic acid, 8-methyl-2,3-diphenyl-
CAS Number:
1298069-31-4
Molecular Formula:
C23H17NO2
Molecular Weight:
339.3866
IUPAC Name:
8-methyl-2,3-diphenylquinoline-4-carboxylic acid
InChI:
InChI=1S/C23H17NO2/c1-15-9-8-14-18-20(23(25)26)19(16-10-4-2-5-11-16)22(24-21(15)18)17-12-6-3-7-13-17/h2-14H,1H3,(H,25,26)
InChI Key:
CKULUZPDTKXKET-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(c2ccccc2)c(nc2c1cccc2C)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.394g/mol
Monoisotopic Mass:
339.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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