Basic information
- CAS
2743-93-3- Standard SMILES
O=C1O[C@H]2CC[C@@H](C(=O)O)[C@@H]1C2- InChIKey
BGLPRPUMBVYBPY-JKUQZMGJSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- (1S,2R,5S)-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
- IUPAC
- (1S,2R,5S)-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
Names & synonyms
SCHEMBL28585489
Database identifiers
- CAS
2743-93-3- PubChem CID
- 175134536
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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