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116734-22-6 | 2-(4-METHOXYPHENYL)-6-METHYLQUINOLINE-4-CARBOXYLIC ACID
CAS No: 116734-22-6 Catalog No: AG0090V8 MDL No:MFCD01825281
Product Description
Catalog Number:
AG0090V8
Chemical Name:
2-(4-METHOXYPHENYL)-6-METHYLQUINOLINE-4-CARBOXYLIC ACID
CAS Number:
116734-22-6
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
MDL Number:
MFCD01825281
IUPAC Name:
2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C18H15NO3/c1-11-3-8-16-14(9-11)15(18(20)21)10-17(19-16)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChI Key:
KFYRNTCJRHILBJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)C
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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