Basic information
- CAS
148683-89-0- Standard SMILES
C[C@H]1C[C@H]2C[C@@H]1[C@](O)(C#N)C2- InChIKey
HRDCNRJPFDWLPA-XSPKLOCKSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
Names & identifiers
- Preferred name
- (1S,2S,4S,6S)-2-hydroxy-6-methylbicyclo[2.2.1]heptane-2-carbonitrile
- IUPAC
- (1S,2S,4S,6S)-2-hydroxy-6-methylbicyclo[2.2.1]heptane-2-carbonitrile
- English name
- Bicyclo[2.2.1]heptane-2-carbonitrile, 2-hydroxy-6-methyl-, (2-endo,6-exo)- (9CI)
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
Bicyclo[2.2.1]heptane-2-carbonitrile, 2-hydroxy-6-methyl-, (2-endo,6-exo)- (9CI)
Database identifiers
- CAS
148683-89-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 287 · 287.0±23.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 11.46 · 11.46±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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