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5802-65-3

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5802-65-3 Structure

5802-65-3 Structure
IdentificationBack 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 PropertiesBack 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)
[Appearance]

White to off-white Solid
[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
Safety DataBack Directory
[Risk Statements ]

68-20/21/22-36/37/38
[Safety Statements ]

26-36
[HS Code ]

29172090
Spectrum DetailBack Directory
[Spectrum Detail]

CYCLOPENTANE-1,1-DICARBOXYLIC ACID(5802-65-3)1HNMR
Hazard InformationBack 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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