1H-Isoindole, 2,3-dihydro-


Chemical Name: 1H-Isoindole, 2,3-dihydro-
CAS Number: 496-12-8
Product Number: AG003R3V(AGN-PC-0JR1GG)
Synonyms:
MDL No:
Molecular Formula: C8H9N
Molecular Weight: 119.1638

Identification/Properties


Properties
MP:
17 °C(lit.);
BP:
199.6°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Refractive Index:
n20/D 1.57(lit.)
Computed Properties
Molecular Weight:
119.167g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
119.073g/mol
Monoisotopic Mass:
119.073g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
88.7
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#:
-
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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