Basic information
- CAS
87955-56-4- Standard SMILES
C(#CC12CCCCC1O2)c1ccccc1- InChIKey
IEKKOVKGAAEDKQ-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 7-Oxabicyclo[4.1.0]heptane, 1-(phenylethynyl)-
- IUPAC
- 1-(2-phenylethynyl)-7-oxabicyclo[4.1.0]heptane
Names & synonyms
7-Oxabicyclo[4.1.0]heptane, 1-(phenylethynyl)-1-(Phenylethynyl)-7-oxabicyclo[4.1.0]heptane87955-56-4DTXSID804590521-phenylethynyl-7-oxabicyclo[4.1.0]heptane
Database identifiers
- CAS
87955-56-4- PubChem CID
- 11217841
- DTXSID
DTXSID80459052- Nikkaji
- J1.734.130H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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