Basic information
- CAS
65323-13-9- Standard SMILES
CC1(C)[C@](C)(C(=O)[O-])CC[C@]1(C)C(=O)[O-].[Na+].[Na+]- InChIKey
PGCIREGXMUCRLZ-HVNHDPPXSA-L- Molecular formula
- C11H16Na2O4
- Average molar mass
- 258.22 g/mol
- Monoisotopic mass
- 258.08439755
Overview
RN given for (cis-(+-)-isomer, Na salt); structure in first source
Names & identifiers
- Preferred name
- Camphoric acid 3-methyl ester
- IUPAC
- disodium;cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1,3-dicarboxylate
Names & synonyms
Camphoric acid 3-methyl esterDTXSID90215666RefChem:917962DTXCID20138157PGCIREGXMUCRLZ-HVNHDPPXSA-Ldisodium;(1S,3R)-1,2,2,3-tetramethylcyclopentane-1,3-dicarboxylateDISODIUM (1R,3S)-1,2,2,3-TETRAMETHYLCYCLOPENTANE-1,3-DICARBOXYLATE
Database identifiers
- CAS
65323-13-9- PubChem CID
- 198488
- DTXSID
DTXSID90215666
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…