cis-1,2-Cyclohexanedicarboxylic anhydride

C8H10O3CAS 13149-00-3154.16 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C8H10O3
Molar mass
154.16 g/mol
Exact mass
154.0630 Da
Melting point
72–72.5 °C
Boiling point
158–160 °C (at 17 Torr)
logP
0.88Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
13149-00-3
SMILES
O=C1OC(=O)[C@@H]2CCCC[C@H]12
InChIKey
MUTGBJKUEZFXGO-OLQVQODUNA-N
InChI
InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+

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

Names and synonyms

8 names
  • 1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-
  • 1,2-Cyclohexanedicarboxylic anhydride, cis-
  • 1,3-Isobenzofurandione, hexahydro-, cis-
  • Rel-(3aR,7aS)-Hexahydro-1,3-isobenzofurandione
  • cis-Hexahydrophthalic anhydride
  • cis-Cyclohexane-1,2-dicarboxylic acid anhydride
  • Rel-(3aR,7aS)-Hexahydroisobenzofuran-1,3-dione
  • cis-1,2-Cyclohexanecarboxylic acid anhydride

Work with cis-1,2-Cyclohexanedicarboxylic anhydride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hexahydrophthalic anhydride85-42-7Stereo not defined (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-1Diastereomer trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-6Diastereomer

Similar compounds

Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-589 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-878 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-360 % similar Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride122640-83-958 % similar Diglycidyl hexahydrophthalate5493-45-858 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-756 % similar Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone6053-68-552 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hydroxytyrosol10597-60-1 2,5-Dimethoxyphenol18113-18-3 3,4-Dimethoxyphenol2033-89-8 2-Hydroxy-3-methoxybenzenemethanol4383-05-5 Isovanillyl alcohol4383-06-6 Vanillyl alcohol498-00-0 3,5-Dimethoxyphenol500-99-2

Elsewhere

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