2-Phenylbicyclo[2.2.1]heptan-2-ol
Basic information
- CAS
78195-92-3- Standard SMILES
OC1(c2ccccc2)CC2CCC1C2- InChIKey
UDDFVZBWCXTBMR-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Overview
See also: 2-Phenyl-2-norbornanol, mixture OF endo and exo (annotation moved to).
Names & identifiers
- Preferred name
- 2-Phenylbicyclo[2.2.1]heptan-2-ol
- IUPAC
- 2-phenylbicyclo[2.2.1]heptan-2-ol
- English name
- 2-Phenyl-2-norbornanol, mixture of endo and exo
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
2-Phenylbicyclo[2.2.1]heptan-2-ol78195-92-32-Phenyl-2-norbornanolNSC87592SCHEMBL3582800DTXSID90329075UDDFVZBWCXTBMR-UHFFFAOYSA-NNSC-87592AKOS020111473(+/-)-2-phenylbicyclo[2.2.1]heptan-2-olBicyclo[2.2.1]heptan-2-ol, 2-phenyl-2-Phenyl-2-norbornanol, mixture of endo and exo
Database identifiers
- CAS
78195-92-3- PubChem CID
- 417191
- DTXSID
DTXSID90329075
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 44 °C · 44 °C
- Boiling point
- 120 · 120-130 °C(Press: 0.2 Torr)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
3 records
Compound notes
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