chempirical

3A,4,4A,7A,8,8A-Hexahydro-4,8-etheno-1H,3H-benzo[1,2-C:4,5-C′]difuran-1,3,5,7-tetrone

C12H8O6CAS 1719-83-1248.19 g/mol

Open in Covalent MOL file
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Acid anhydrideAlkene

Properties

Molecular formula
C12H8O6
Molar mass
248.19 g/mol
Exact mass
248.0321 Da
Melting point
345–346 °C (decomposes)
logP
-0.57Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Identifiers

CAS number
1719-83-1
SMILES
O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31
InChIKey
XLOGCGOPKPCECW-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 4,8-Etheno-1H,3H-benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone, 3a,4,4a,7a,8,8a-hexahydro-
  • Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic 2,3:5,6-dianhydride
  • Bicyclooctenetetracarboxylic dianhydride
  • Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride
  • Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic anhydride
  • BTA
  • Bicyclo[2.2.2]octane-7-ene-2,3,5,6-tetracarboxylic dianhydride
  • Bicyclo[2.2.2]oct-7-ene-2,3,5,8-tetracarboxylic dianhydride

Work with 3A,4,4A,7A,8,8A-Hexahydro-4,8-etheno-1H,3H-benzo[1,2-C:4,5-C′]difuran-1,3,5,7-tetrone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrahydrocyclobuta[1,2-C:3,4-C′]difuran-1,3,4,6-tetrone4415-87-661 % similar exo-5,6-Dehydronorcantharidin6118-51-057 % similar Carbic anhydride129-64-654 % similar Himic anhydride2746-19-254 % similar Nadic anhydride826-62-054 % similar Tetrahydro-1H-cyclopenta[1,2-C:3,4-C′]difuran-1,3,4,6(3ah)-tetrone6053-68-546 % similar Norcantharidin29745-04-844 % similar Norcantharidin5442-12-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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