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87275-00-1 | 4-Acetylisoquinolin-1(2H)-one
CAS No: 87275-00-1 Catalog No: AG01EDRD MDL No:
Product Description
Catalog Number:
AG01EDRD
Chemical Name:
4-Acetylisoquinolin-1(2H)-one
CAS Number:
87275-00-1
IUPAC Name:
4-acetyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H9NO2/c1-7(13)10-6-12-11(14)9-5-3-2-4-8(9)10/h2-6H,1H3,(H,12,14)
InChI Key:
ALQFTBSPRXKAAU-UHFFFAOYSA-N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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