1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-


Chemical Name: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
CAS Number: 5333-84-6
Product Number: AG003JS1(AGN-PC-006QPI)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Properties
MP:
62 °C
BP:
303°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
267
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
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:
Danger
UN#:
2811
Hazard Statements:
H315-H317-H319-H334
Precautionary Statements:
P261-P264-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P337+P313-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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