4H-Isoindol-4-one, 2,5,6,7-tetrahydro-


Chemical Name: 4H-Isoindol-4-one, 2,5,6,7-tetrahydro-
CAS Number: 113880-79-8
Product Number: AG0009YV(AGN-PC-05W5IS)
Synonyms:
MDL No:
Molecular Formula: C8H9NO
Molecular Weight: 135.1632

Identification/Properties


Computed Properties
Molecular Weight:
135.166g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
135.068g/mol
Monoisotopic Mass:
135.068g/mol
Topological Polar Surface Area:
32.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
155
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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