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90061-42-0 | 2(1H)-Quinolinone, 3-(acetyloxy)-4-hydroxy-
CAS No: 90061-42-0 Catalog No: AG006KES MDL No:
Product Description
Catalog Number:
AG006KES
Chemical Name:
2(1H)-Quinolinone, 3-(acetyloxy)-4-hydroxy-
CAS Number:
90061-42-0
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
(4-hydroxy-2-oxo-1H-quinolin-3-yl) acetate
InChI:
InChI=1S/C11H9NO4/c1-6(13)16-10-9(14)7-4-2-3-5-8(7)12-11(10)15/h2-5H,1H3,(H2,12,14,15)
InChI Key:
PUMBLINWOMVIJW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(=O)[nH]c2c(c1O)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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