Dimethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Basic information
- CAS
61425-28-3- Standard SMILES
COC(=O)C1C2OC(C3OC32)C1C(=O)OC- InChIKey
KOPDADYGHFEUNL-UHFFFAOYSA-N- Molecular formula
- C10H12O6
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.0633881
Names & identifiers
- Preferred name
- Dimethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
- IUPAC
- dimethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Names & synonyms
NSC19622861425-28-3SCHEMBL12205001DTXSID20307902NSC-196228Dimethyl 3,8-dioxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarboxylate
Database identifiers
- CAS
61425-28-3- PubChem CID
- 304402
- DTXSID
DTXSID20307902
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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