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116734-13-5 | 4-Quinolinecarboxylic acid, 2-(4-hydroxyphenyl)-6-methoxy-
CAS No: 116734-13-5 Catalog No: AG000D51 MDL No:
Product Description
Catalog Number:
AG000D51
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-hydroxyphenyl)-6-methoxy-
CAS Number:
116734-13-5
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
2-(4-hydroxyphenyl)-6-methoxyquinoline-4-carboxylic acid
InChI:
InChI=1S/C17H13NO4/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(18-15)10-2-4-11(19)5-3-10/h2-9,19H,1H3,(H,20,21)
InChI Key:
PBBBYEJZHSDBSW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cc(n2)c1ccc(cc1)O)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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