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116734-20-4 | 4-Quinolinecarboxylic acid, 7-methoxy-2-(4-methoxyphenyl)-
CAS No: 116734-20-4 Catalog No: AG000D6C MDL No:
Product Description
Catalog Number:
AG000D6C
Chemical Name:
4-Quinolinecarboxylic acid, 7-methoxy-2-(4-methoxyphenyl)-
CAS Number:
116734-20-4
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
7-methoxy-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C18H15NO4/c1-22-12-5-3-11(4-6-12)16-10-15(18(20)21)14-8-7-13(23-2)9-17(14)19-16/h3-10H,1-2H3,(H,20,21)
InChI Key:
FFMMVMRDDWAUMA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2cc(OC)ccc2c(c1)C(=O)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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