1,5,5-Trimethyl-8-oxobicyclo[2.2.2]octane-2,3-dicarboxylic acid
Basic information
- CAS
50317-24-3- Standard SMILES
CC1(C)CC2(C)CC(=O)C1C(C(=O)O)C2C(=O)O- InChIKey
RKERPTXROQWMMI-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- 1,5,5-Trimethyl-8-oxobicyclo[2.2.2]octane-2,3-dicarboxylic acid
- IUPAC
- 1,5,5-trimethyl-8-oxobicyclo[2.2.2]octane-2,3-dicarboxylic acid
Names & synonyms
MLS00292051250317-24-31,5,5-trimethyl-8-oxobicyclo[2.2.2]octane-2,3-dicarboxylic acidNSC140605DTXSID20964599NSC-140605SMR001798101
Database identifiers
- CAS
50317-24-3- PubChem CID
- 284585
- DTXSID
DTXSID20964599
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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