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66819-05-4 | 4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-methyl-3-(8-quinolinyl)-
CAS No: 66819-05-4 Catalog No: AG006QGN MDL No:
Product Description
Catalog Number:
AG006QGN
Chemical Name:
4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-methyl-3-(8-quinolinyl)-
CAS Number:
66819-05-4
Molecular Formula:
C21H15NO4
Molecular Weight:
345.3481
IUPAC Name:
(2-methyl-4-oxo-3-quinolin-8-ylchromen-7-yl) acetate
InChI:
InChI=1S/C21H15NO4/c1-12-19(17-7-3-5-14-6-4-10-22-20(14)17)21(24)16-9-8-15(26-13(2)23)11-18(16)25-12/h3-11H,1-2H3
InChI Key:
PRLDAZHUQKONLN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)oc(c(c2=O)c1cccc2c1nccc2)C
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.354g/mol
Monoisotopic Mass:
345.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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