4-Carbomethoxyhomocubane
methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate
Also Known As: 4-Carbomethoxyhomocubane|methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate|methyl pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane-4-carboxylate
CAS: 40317-63-3
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08372 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Monoisotopic Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 40317-63-3 |
|---|---|
| SMILES | COC(=O)C12C3C4C1C5C2C3C5C4 |
| InChIKey | VZNFAXUDGDVVBT-UHFFFAOYSA-N |
Product Overview
4-Carbomethoxyhomocubane (CAS 40317-63-3), with molecular formula C11H12O2 and molecular weight 176.08372 g/mol. IUPAC: methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate.
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.
View MSDS →
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