1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-


Chemical Name: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-
CAS Number: 935-79-5
Product Number: AG003DAH(AGN-PC-0W35OS)
Synonyms:
MDL No:
Molecular Formula: C8H8O3
Molecular Weight: 152.1473

Identification/Properties


Properties
MP:
98 °C
BP:
305.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
152.149g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
152.047g/mol
Monoisotopic Mass:
152.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
218
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


NMR Spectrum


Other Analytical Data


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