Basic information
- CAS
839683-04-4- Standard SMILES
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-].[Ca+2]- InChIKey
MIHDGSOYBPAAHC-SOFOZBNTSA-L- Molecular formula
- C9H10CaO4
- Average molar mass
- 222.25 g/mol
- Monoisotopic mass
- 222.0204996
Overview
See also: Calcium bicyclo(2.2.1)heptane-2,3-dicarboxylate (annotation moved to).
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, calcium salt (1:1), (1R,2R,3S,4S)-rel-
- IUPAC
- calcium (1R,2R,3S,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
Names & synonyms
SCHEMBL29370708DTXSID701387509Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, calcium salt (1:1), (1R,2R,3S,4S)-rel-
Database identifiers
- CAS
839683-04-4- PubChem CID
- 175690920
- DTXSID
DTXSID701387509
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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