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89356-34-3 | 1H-Indene-1,3(2H)-dione, 2-(6-butyl-3-hydroxy-2-quinolinyl)-
CAS No: 89356-34-3 Catalog No: AG003XYB MDL No:
Product Description
Catalog Number:
AG003XYB
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(6-butyl-3-hydroxy-2-quinolinyl)-
CAS Number:
89356-34-3
Molecular Formula:
C22H19NO3
Molecular Weight:
345.3912
IUPAC Name:
2-(6-butyl-3-hydroxyquinolin-2-yl)indene-1,3-dione
InChI:
InChI=1S/C22H19NO3/c1-2-3-6-13-9-10-17-14(11-13)12-18(24)20(23-17)19-21(25)15-7-4-5-8-16(15)22(19)26/h4-5,7-12,19,24H,2-3,6H2,1H3
InChI Key:
XXWLJJPMKZRXIV-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)cc(c(n2)C1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.398g/mol
Monoisotopic Mass:
345.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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