4,7-Methanoisobenzofuran-1,3-dione, hexahydro-,(3aR,4S,7R,7aS)-rel-


Chemical Name: 4,7-Methanoisobenzofuran-1,3-dione, hexahydro-,(3aR,4S,7R,7aS)-rel-
CAS Number: 14166-28-0
Product Number: AG0038XQ(AGN-PC-0PR5OE)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
1.3
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:
245
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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