1-(Hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
Basic information
- CAS
2757731-75-0- Standard SMILES
N#CC12COC(CO)(C1)C2- InChIKey
ANUFVOUQNSGIJB-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
Names & identifiers
- Preferred name
- 1-(Hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
- IUPAC
- 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
- English name
- 2-Oxabicyclo[2.1.1]hexane-4-carbonitrile, 1-(hydroxymethyl)-
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
1-(Hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile2757731-75-0MFCD346019042-Oxabicyclo[2.1.1]hexane-4-carbonitrile, 1-(hydroxymethyl)-F77083F5559371-(Hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile - [H93780]
Database identifiers
- CAS
2757731-75-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 298 · 298.0±15.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 15.16 · 15.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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