Basic information
- Standard SMILES
CC12OCC(C(=O)O)(CO1)CO2- InChIKey
NUQXWPHLGPRQTH-UHFFFAOYSA-N- Molecular formula
- C7H10O5
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.05282342
Names & identifiers
- Preferred name
- 4-Carboxy-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
- IUPAC
- 1-methyl-2,6,7-trioxabicyclo[2.2.2]octane-4-carboxylic acid
Names & synonyms
SCHEMBL9109265NUQXWPHLGPRQTH-UHFFFAOYSA-N4-carboxy-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 19936249
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Related reactions
4 records
Compound notes
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