5802-65-3

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5802-65-3 Structure

Identification	Back Directory
[Name] CYCLOPENTANE-1,1-DICARBOXYLIC ACID
[CAS] 5802-65-3
[Synonyms] CYCLOPENTANE-1,1-DICARBOXYLIC ACID
[Molecular Formula] C7H10O4
[MDL Number] MFCD00029146
[MOL File] 5802-65-3.mol
[Molecular Weight] 158.15

Chemical Properties	Back Directory
[Melting point ] 157.7-158.5 °C
[Boiling point ] 368.9±25.0 °C(Predicted)
[density ] 1.416±0.06 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[pka] pK1:3.23;pK2:4.08 (25°C)
[InChI] InChI=1S/C7H10O4/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H,8,9)(H,10,11)
[InChIKey] YZFOGXKZTWZVFN-UHFFFAOYSA-N
[SMILES] C1(C(O)=O)(C(O)=O)CCCC1

Spectrum Detail	Back Directory
[Spectrum Detail] CYCLOPENTANE-1,1-DICARBOXYLIC ACID(5802-65-3)¹HNMR

Hazard Information	Back Directory
[Purification Methods] Recrystallise the di-acid from water or pentane/Et2O (10:1), and it decarboxylates on melting. [IR, NMR: Hoberg et al. Synthesis 395 1991.]

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