chempirical

Endothall

C8H10O5CAS 145-73-3186.16 g/mol

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Carboxylic acidEther

Properties

Molecular formula
C8H10O5
Molar mass
186.16 g/mol
Exact mass
186.0528 Da
Density
1.43 g/mL
Melting point
144 °C
logP
-0.05Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
145-73-3
SMILES
O=C(O)C1C2CCC(O2)C1C(=O)O
InChIKey
GXEKYRXVRROBEV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
  • 1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-
  • 3,6-Endooxyphthalic acid, hexahydro-
  • Endothal
  • 1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-
  • Hydout
  • Herbon pennout
  • Aquothol
  • Hydrothol
  • Aquathol
  • NSC 112771
  • Endothallic acid
  • Endothalic acid

Work with Endothall

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

1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-452 % similar Norcantharidin29745-04-850 % similar Norcantharidin5442-12-650 % similar 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid693248-53-248 % similar Rel-(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetracarboxylic acid3786-91-246 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-746 % similar (±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-646 % similar cis-Epoxysuccinate16533-72-546 % similar

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

Same formula

Diallyl dicarbonate115491-93-5 (2-Oxo-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate13818-44-5 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione15568-85-1 4-Hydroxymandelic acid monohydrate184901-84-6 2',4',6'-Trihydroxyacetophenone monohydrate249278-28-2 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione85920-63-4

Elsewhere

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