Basic information
- CAS
53834-54-1- Standard SMILES
N#CC1CC2OC2C1- InChIKey
HQMOLZPIPQQFDF-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 6-Oxabicyclo(3.1.0)hexane-3-carbonitrile
- IUPAC
- 6-oxabicyclo[3.1.0]hexane-3-carbonitrile
- English name
- 6-Oxabicyclo[3.1.0]hexane-3-carbonitrile
- Molecular weight
- 0
Names & synonyms
6-Oxabicyclo[3.1.0]hexane-3-carbonitrile53834-54-1DTXSID403375096-Oxabicyclo(3.1.0)hexane-3-carbonitrileRefChem:309268DTXCID90288597HQMOLZPIPQQFDF-UHFFFAOYSA-NSCHEMBL11686659DB-359668
Database identifiers
- CAS
53834-54-1- PubChem CID
- 543151
- DTXSID
DTXSID40337509- Nikkaji
- J110.370I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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