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116734-21-5 | 4-Quinolinecarboxylic acid, 2-(4-methoxyphenyl)-7-methyl-
CAS No: 116734-21-5 Catalog No: AG000D6B MDL No:MFCD00178335
Product Description
Catalog Number:
AG000D6B
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-methoxyphenyl)-7-methyl-
CAS Number:
116734-21-5
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
MDL Number:
MFCD00178335
IUPAC Name:
2-(4-methoxyphenyl)-7-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C18H15NO3/c1-11-3-8-14-15(18(20)21)10-16(19-17(14)9-11)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChI Key:
QGYSRDDVLFRRHR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2cc(C)ccc2c(c1)C(=O)O
NSC Number:
142451
Properties
Complexity:
392
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:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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