4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-


Chemical Name: 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-
CAS Number: 826-62-0
Product Number: AG0052DZ(AGN-PC-04W16W)
Synonyms:
MDL No:
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Properties
MP:
158-164 °C
BP:
331.056 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5260 (estimate)
Solubility:
diethyl ether: soluble0.1g/10 mL, clear, colorless
Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
277
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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