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89356-35-4 | 1H-Benz[f]indene-1,3(2H)-dione, 2-(6-butyl-3-hydroxy-2-quinolinyl)-
CAS No: 89356-35-4 Catalog No: AG003Z7Y MDL No:
Product Description
Catalog Number:
AG003Z7Y
Chemical Name:
1H-Benz[f]indene-1,3(2H)-dione, 2-(6-butyl-3-hydroxy-2-quinolinyl)-
CAS Number:
89356-35-4
Molecular Formula:
C26H21NO3
Molecular Weight:
395.4498
IUPAC Name:
2-(6-butyl-3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
InChI:
InChI=1S/C26H21NO3/c1-2-3-6-15-9-10-21-18(11-15)14-22(28)24(27-21)23-25(29)19-12-16-7-4-5-8-17(16)13-20(19)26(23)30/h4-5,7-14,23,28H,2-3,6H2,1H3
InChI Key:
AOYUMRDPWQWBIW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)cc(c(n2)C1C(=O)c2c(C1=O)cc1c(c2)cccc1)O
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.152g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.458g/mol
Monoisotopic Mass:
395.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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