(-)-trans-1,2-Cyclohexanedicarboxylic anhydride

C₈H₁₀O₃CAS 31982-85-1154.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O₃
Molar mass: 154.16 g/mol
Exact mass: 154.0630 Da
logP: 0.88Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: S, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

31982-85-1

SMILES

C1CC[C@H]2[C@H](C1)C(=O)OC2=O

InChIKey

MUTGBJKUEZFXGO-WDSKDSINSA-N

InChI

InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m0/s1

Weigh it out

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

Work with (-)-trans-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.

trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-6Enantiomer 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 3,5-Dimethoxyphenol500-99-2

Elsewhere

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