Ethanone, 1-(3-isoquinolinyl)-


Chemical Name: Ethanone, 1-(3-isoquinolinyl)-
CAS Number: 91544-03-5
Product Number: AG00GTUI(AGN-PC-005SLT)
Synonyms:
MDL No:
Molecular Formula: C11H9NO
Molecular Weight: 171.1953

Identification/Properties


Properties
MP:
88℃
Form:
Solid
Computed Properties
Molecular Weight:
171.199g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
171.068g/mol
Monoisotopic Mass:
171.068g/mol
Topological Polar Surface Area:
30A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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