Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid,1-methylester , 98% , 24539-28-4

Synonym(s):
(1s,2R,3R,4s,5s,6S,7S,8r)-4-(Methoxycarbonyl)cubane-1-carboxylic acid;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1-methyl ester

CAS NO.：24539-28-4

Empirical Formula: C11H10O4

Molecular Weight: 206.19

MDL number: MFCD08458189

PRODUCT Properties

• Melting point: 181°C
• Boiling point: 341.5±42.0 °C(Predicted)
• Density: 1.956
• Flash point: 141.4℃
• storage temp.: Store at room temperature
• form: powder or crystals
• pka: 4.24±0.40(Predicted)
• Appearance: White to off-white Solid
• InChI: InChI=1S/C11H10O4/c1-15-9(14)11-5-2-6(11)4-7(11)3(5)10(2,4)8(12)13/h2-7H,1H3,(H,12,13)
• InChIKey: ARRJEFLYRAVFJA-UHFFFAOYSA-N
• SMILES: C12(C(OC)=O)C3C4C5(C(O)=O)C3C1C5C42

Description and Uses

4-Methoxycarbonylcubanecarboxylic Acid is a cubane derivative being studied for its potential to act as a benzene bioisostere.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H319-H315-H335
• Precautionary statements: P302+P352-P280-P305+P351+P338-P261
• HS Code: 29172090