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90061-44-2 | 2(1H)-Quinolinone, 3-(acetyloxy)-4-hydroxy-1-methyl-
CAS No: 90061-44-2 Catalog No: AG00H8S3 MDL No:
Product Description
Catalog Number:
AG00H8S3
Chemical Name:
2(1H)-Quinolinone, 3-(acetyloxy)-4-hydroxy-1-methyl-
CAS Number:
90061-44-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(4-hydroxy-1-methyl-2-oxoquinolin-3-yl) acetate
InChI:
InChI=1S/C12H11NO4/c1-7(14)17-11-10(15)8-5-3-4-6-9(8)13(2)12(11)16/h3-6,15H,1-2H3
InChI Key:
BVCAGXNYRPLJBZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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