1,3-Isobenzofurandione, hexahydro-, (3aR,7aR)-


Chemical Name: 1,3-Isobenzofurandione, hexahydro-, (3aR,7aR)-
CAS Number: 71749-03-6
Product Number: AG003BDF(AGN-PC-0OH0U0)
Synonyms:
MDL No:
Molecular Formula: C8H10O3
Molecular Weight: 154.1632

Identification/Properties


Properties
MP:
165 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
85 ° (C=1, Dioxane)
Computed Properties
Molecular Weight:
154.165g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
154.063g/mol
Monoisotopic Mass:
154.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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:
Danger
UN#:
1759
Hazard Statements:
H318-H317-H334
Precautionary Statements:
P261-P272-P280-P284-P302+P352-P342+P311-P362+P364-P304+P340-P333+P313-P305+P351+P338+P310-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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