chempirical

exo-5,6-Dehydronorcantharidin

C8H6O4CAS 6118-51-0166.13 g/mol

Open in Covalent MOL file
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Acid anhydrideAlkeneEther

Properties

Molecular formula
C8H6O4
Molar mass
166.13 g/mol
Exact mass
166.0266 Da
Melting point
123–124 °C
logP
-0.36Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0
Stereocentres
S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6118-51-0
SMILES
O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2O1
InChIKey
QQYNRBAAQFZCLF-FBXFSONDNA-N
InChI
InChI=1/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+

Weigh it out

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

Names and synonyms

15 names · show all
  • 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4S,7R,7aS)-rel-
  • 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, exo-
  • 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aα,4β,7β,7aα)-
  • Rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
  • exo-cis-3,6-Endoxo-δ4-tetrahydrophthalic anhydride
  • 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-exo-dicarboxylic anhydride
  • exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride
  • exo-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride
  • (Exo,exo)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride
  • 5,6-Dehydronorcantharidin
  • NSC 144085
  • exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic acid anhydride
  • exo-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid anhydride
  • exo-7-Oxanorbornene-5,6-dicarboxylic anhydride
  • exo-7-Oxanorbornene-2,3-dicarboxylic anhydride

Work with exo-5,6-Dehydronorcantharidin

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

3a,4,4a,7a,8,8a-Hexahydro-4,8-etheno-1H,3H-benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone1719-83-157 % similar Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone4415-87-655 % similar Carbic anhydride129-64-650 % similar Himic anhydride2746-19-250 % similar Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride6708-37-850 % similar Nadic anhydride826-62-050 % similar Norcantharidin29745-04-846 % similar Norcantharidin5442-12-646 % similar

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

Same formula

Terephthalic acid100-21-0 Isophthalic acid121-91-5 2,5-Dihydroxy-1,4-benzenedicarboxaldehyde1951-36-6 1,3-Benzodioxole-4-carboxylic acid5768-39-8 3-Formyl-4-hydroxybenzoic acid584-87-2 5-Formylsalicylic acid616-76-2 Phthalic acid88-99-3 1,3-Benzodioxole-5-carboxylic acid94-53-1

Elsewhere

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