dimethyl (1S,2S,3R,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Basic information
- CAS
3215-51-8- Standard SMILES
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@H]1O2- InChIKey
HGUPYDNRFPCLSC-SOSBWXJGSA-N- Molecular formula
- C10H14O5
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08412354
Names & identifiers
- Preferred name
- dimethyl (1S,2S,3R,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
- IUPAC
- dimethyl (1S,2S,3R,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Names & synonyms
3215-51-8DTXSID901044474Dimethyl (1R,2R,3S,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate-rel-
Database identifiers
- CAS
3215-51-8- PubChem CID
- 12914733
- DTXSID
DTXSID901044474- Nikkaji
- J1.602.433C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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