Cubane-1,4-dicarboylic acid dimethyl ester structure

Cubane-1,4-dicarboylic acid dimethyl ester

dimethyl cubane-1,4-dicarboxylate

Also Known As: Dimethyl 1,4-cubanedicarboxylate|dimethyl cubane-1,4-dicarboxylate|ACMC-20c4ai|1,4-Bis(methoxycarbonyl)cubane|Cubane-1,4-dicarboylic acid dimethyl ester|dimethylcubane-1,4-dicarboxylate|1,8-DIMETHYL CUBANE-1,8-DICARBOXYLATE|BM440|dimethyl cubane-1,4- dicarboxylate|KS-000005PW|CD0165|CS-W001051|DIMETHYL1,4-CUBANEDICARBOXYLATE|GS-8000|Cubane-1,4-dicarboxylic acid dimethyl ester|DIMETHYL 1,4-CUBANEDICARBOXALATE|D-4690

CAS: 29412-62-2
Molecular Formula C12H12O4
Molecular Weight 220.07356 g/mol
Topological Polar Surface Area 52.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 220.07356
Monoisotopic Mass 220.07356
Heavy Atoms 16
Complexity 382.0

Chemical Identifiers

CAS Number 29412-62-2
SMILES COC(=O)C12C3C4C1C5C2C3C45C(=O)OC
InChIKey OXBMFCGRQJNAOY-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (1 patents) Organic Building Blocks (5 patents) Pharmaceutical Intermediates (1 patents)

Product Overview

Cubane-1,4-dicarboylic acid dimethyl ester (CAS 29412-62-2), with molecular formula C12H12O4 and molecular weight 220.07356 g/mol. IUPAC: dimethyl cubane-1,4-dicarboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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