Basic information
- CAS
4829-01-0- Standard SMILES
c1ccc(C23CCCCC2O3)cc1- InChIKey
DUDYJVLITCQGCP-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 1-Phenyl-7-oxabicyclo[4.1.0]heptane
- IUPAC
- 1-phenyl-7-oxabicyclo[4.1.0]heptane
- English name
- 1-Phenyl-7-oxa-bicyclo[4.1.0]heptane
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
1-phenyl-7-oxabicyclo[4.1.0]heptane4829-01-01-PHENYL-7-OXA-BICYCLO[4.1.0]HEPTANE1-phenylcyclohexene oxide1-phenyl-1,2-epoxycyclohexaneNSC363760NSC 3637607-Oxabicyclo(4.1.0)heptane, 1-phenyl-Phenyl Cyclohexene Oxide1-phenylcyclohex-l-ene oxide1-phenylcyclohex-1-ene oxideSCHEMBL2220242
Show more names
7-Oxabicyclo[4.1.0]heptane, 1-phenyl-
DTXSID20964039DUDYJVLITCQGCP-UHFFFAOYSA-NAKOS006290581NSC-363760
Database identifiers
- CAS
4829-01-0- PubChem CID
- 100193
- DTXSID
DTXSID20964039- Nikkaji
- J714.598E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 115.5 °C · 115.5 °C
- Boiling point
- 136 °C · 136 °C(Press: 15-16 Torr)
- Density
- 1.0758 g/cm3 · 1.0758 g/cm3(Temp: 0 °C)
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
5 records
Compound notes
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