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Home > Quinoline > 198625-33-1
198625-33-1 | 1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-
CAS No: 198625-33-1 Catalog No: AG002BO8 MDL No:
Product Description
Catalog Number:
AG002BO8
Chemical Name:
1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-
CAS Number:
198625-33-1
Molecular Formula:
C27H19NO4
Molecular Weight:
421.4441
IUPAC Name:
5-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxyquinolin-2-yl)inden-1-one
InChI:
InChI=1S/C27H19NO4/c1-14-7-8-15(2)19(11-14)25(30)17-9-10-18-20(12-17)27(32)23(26(18)31)24-22(29)13-16-5-3-4-6-21(16)28-24/h3-13,29,32H,1-2H3
InChI Key:
KQYMXKWYMPNOTG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)c1ccc2c(c1)C(=O)C(=C2O)c1nc2ccccc2cc1O)C
EC Number:
606-392-5
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.131g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.452g/mol
Monoisotopic Mass:
421.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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