Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate
Basic information
- CAS
59901-90-5- Standard SMILES
CC(=O)OC(c1ccccc1)C12OCOC1O2- InChIKey
JGYUUARPAOCCFC-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate
- IUPAC
- [phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-yl)methyl] acetate
Names & synonyms
DTXSID90975319PHENYL(2,4,6-TRIOXABICYCLO[3.1.0]HEXAN-1-YL)METHYL ACETATE
Database identifiers
- CAS
59901-90-5- PubChem CID
- 43110
- DTXSID
DTXSID90975319
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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