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65417-65-4 | Ethanone, 1-(3-hydroxy-2-oxido-4-isoquinolinyl)-
CAS No: 65417-65-4 Catalog No: AG006R04 MDL No:
Product Description
Catalog Number:
AG006R04
Chemical Name:
Ethanone, 1-(3-hydroxy-2-oxido-4-isoquinolinyl)-
CAS Number:
65417-65-4
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
4-acetyl-2-hydroxyisoquinolin-3-one
InChI:
InChI=1S/C11H9NO3/c1-7(13)10-9-5-3-2-4-8(9)6-12(15)11(10)14/h2-6,15H,1H3
InChI Key:
DNGMTVZVSKSLSD-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc2ccccc2c(c1O)C(=O)C
Properties
Complexity:
466
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:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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