Basic information
- CAS
2749-68-0- Standard SMILES
c1ccc(C2OCCCCO2)cc1- InChIKey
ZIUAGSSLKGGCRF-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1,3-Dioxepane, 2-phenyl-
- IUPAC
- 2-phenyl-1,3-dioxepane
Names & synonyms
1,3-Dioxepane, 2-phenyl-2749-68-0DTXSID80450024RefChem:218862DTXCID004008442-phenyl-1,3-dioxepaneSCHEMBL2045490
Database identifiers
- CAS
2749-68-0- PubChem CID
- 10965083
- DTXSID
DTXSID80450024- Nikkaji
- J1.801.813F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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