chempirical

Cantharidin

C10H12O4CAS 56-25-7196.20 g/mol

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Acid anhydrideEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Density
1.38 g/mL
Melting point
218 °C
logP
0.64Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0
Stereocentres
R, S, R, Sin 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
56-25-7
SMILES
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1
InChIKey
DHZBEENLJMYSHQ-XCVPVQRUNA-N
InChI
InChI=1/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

Weigh it out

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

Names and synonyms

12 names
  • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-
  • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-
  • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aα,4β,7β,7aα)-
  • Rel-(3aR,4S,7R,7aS)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
  • Cantharides camphor
  • exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride
  • Cantharidine
  • Kantaridin
  • 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride
  • Cantharone
  • NSC 61805
  • Canthacur

Work with Cantharidin

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

Pivalic anhydride1538-75-641 % similar 2,2-Dimethylsuccinic anhydride17347-61-433 % similar Methylhexahydrophthalic anhydride25550-51-033 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione595-30-233 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-433 % similar 2,2-Dimethylglutaric anhydride2938-48-931 % similar Trifluoroacetic anhydride407-25-031 % similar Trichloroacetic anhydride4124-31-631 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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