Dimethyl 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Basic information
- CAS
42392-53-0- Standard SMILES
COC(=O)C1C2CC(C3OC23)C1C(=O)OC- InChIKey
XLFUWWIFVFHVKH-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- Dimethyl 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
- IUPAC
- dimethyl 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Names & synonyms
42392-53-0NSC196234DTXSID20962454NSC167923NSC-167923NSC-19623456688-05-2Dimethyl 3-oxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarboxylate
Database identifiers
- CAS
42392-53-0、56688-05-2- PubChem CID
- 297150
- DTXSID
DTXSID20962454
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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