Basic information
- CAS
5688-09-5- Standard SMILES
c1ccc(C2OCC3(COC3)CO2)cc1- InChIKey
YBVCSHYBKWDNLD-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 2,6,8-Trioxaspiro(3.5)nonane, 7-phenyl-
- IUPAC
- 7-phenyl-2,6,8-trioxaspiro[3.5]nonane
Names & synonyms
7-phenyl-2,6,8-trioxaspiro[3.5]nonaneBRN 01493342,6,8-Trioxaspiro(3.5)nonane, 7-phenyl-5688-09-57-Phenyl-2,6,8-trioxaspiro(3.5)nonaneDTXSID302054054-19-00-04753 (Beilstein Handbook Reference)RefChem:247978DTXCID90127896
Database identifiers
- CAS
5688-09-5- PubChem CID
- 201240
- DTXSID
DTXSID30205405- Nikkaji
- J2.131.427G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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