4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4S,7R,7aS)-rel-


Chemical Name: 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4S,7R,7aS)-rel-
CAS Number: 6118-51-0
Product Number: AG003QKG(AGN-PC-0SZ7TN)
Synonyms:
MDL No:
Molecular Formula: C8H6O4
Molecular Weight: 166.1308

Identification/Properties


Properties
MP:
118 °C (dec.)(lit.)
BP:
372°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
166.132g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
166.027g/mol
Monoisotopic Mass:
166.027g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
278
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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


NMR Spectrum


Other Analytical Data


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