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18060-44-1 | 4-Quinolinecarboxylic acid, 8-methyl-2-(4-methylphenyl)-
CAS No: 18060-44-1 Catalog No: AG00225W MDL No:MFCD03420025
Product Description
Catalog Number:
AG00225W
Chemical Name:
4-Quinolinecarboxylic acid, 8-methyl-2-(4-methylphenyl)-
CAS Number:
18060-44-1
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
MDL Number:
MFCD03420025
IUPAC Name:
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)
InChI Key:
QVVZBONLURDKEG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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