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1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester
CAS: 115913-32-1
Ref. 3D-FB33676
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Produktinformation
Name:
1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester
Synonyme:
- dimethyl bicyclo<1.1.1>pentane-1,3-dicarboxylate
- W2903
- 1,3-dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
Beschreibung:
1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester is a fluorinated analog of the diacid 1,2-cyclohexanedicarboxylic acid. It has been studied by computational and experimental methods to elucidate its properties. 1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has been shown to undergo bond cleavage at the C-C and C-F bonds with a half life of approximately one day under simulated physiological conditions. The single crystal X-ray diffraction study showed that 1,2-bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester has a planarity of 0.539(6) Å for the central carbon atom.
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Marke:
Biosynth
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Chemische Eigenschaften
Molekulargewicht:
184.19 g/mol
Formel:
C9H12O4
Reinheit:
Min. 95%
InChl:
InChI=1S/C9H12O4/c1-12-6(10)8-3-9(4-8,5-8)7(11)13-2/h3-5H2,1-2H3
InChI Key:
InChIKey=TWMHLEILGHXLSY-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC(C(=O)OC)(C1)C2
MDL:
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