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656233-56-6 | 1(2H)-Isoquinolinone, 5-(acetyloxy)-
CAS No: 656233-56-6 Catalog No: AG006QIZ MDL No:
Product Description
Catalog Number:
AG006QIZ
Chemical Name:
1(2H)-Isoquinolinone, 5-(acetyloxy)-
CAS Number:
656233-56-6
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
(1-oxo-2H-isoquinolin-5-yl) acetate
InChI:
InChI=1S/C11H9NO3/c1-7(13)15-10-4-2-3-9-8(10)5-6-12-11(9)14/h2-6H,1H3,(H,12,14)
InChI Key:
UUICCQHDDYGXQP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1cc[nH]c2=O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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