2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester
methyl 4,8-dioxoadamantane-2-carboxylate
Also Known As: 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester|4-Methoxycarbonyladamantan-2,6-dion|methyl 4,8-dioxoadamantane-2-carboxylate|Methyl 4,8-dioxo-2-adamantanecarboxylate #|Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 4,8-dioxo-, methyl ester|Tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, 4,8-dioxo-, methyl ester
CAS: 5202-38-0
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.0892 g/mol |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Monoisotopic Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 5202-38-0 |
|---|---|
| SMILES | COC(=O)C1C2CC3CC(C2=O)CC1C3=O |
| InChIKey | PLMQPUSQIPZMCP-UHFFFAOYSA-N |
Product Overview
2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester (CAS 5202-38-0), with molecular formula C12H14O4 and molecular weight 222.0892 g/mol. IUPAC: methyl 4,8-dioxoadamantane-2-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.
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