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116734-15-7 | 4-Quinolinecarboxylic acid, 2-(4-hydroxyphenyl)-6-methyl-
CAS No: 116734-15-7 Catalog No: AG000D50 MDL No:MFCD02741569
Product Description
Catalog Number:
AG000D50
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-hydroxyphenyl)-6-methyl-
CAS Number:
116734-15-7
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD02741569
IUPAC Name:
2-(4-hydroxyphenyl)-6-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C17H13NO3/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(18-15)11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,20,21)
InChI Key:
RYBGUJBWECBNFT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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