chempirical

trans-Cyclohexane-1,2-dicarboxylic anhydride

C8H10O3CAS 71749-03-6154.16 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C8H10O3
Molar mass
154.16 g/mol
Exact mass
154.0630 Da
logP
0.88Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
R, 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
71749-03-6
SMILES
C1CC[C@@H]2[C@@H](C1)C(=O)OC2=O
InChIKey
MUTGBJKUEZFXGO-PHDIDXHHSA-N
InChI
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m1/s1

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Names and synonyms

1 names
  • (+)-trans-1,2-Cyclohexanedicarboxylic anhydride

Work with trans-Cyclohexane-1,2-dicarboxylic 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.

(-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-1Enantiomer Hexahydrophthalic anhydride85-42-7Stereo not defined cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-3Diastereomer

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

Elsewhere

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