Basic information
- CAS
90458-42-7- Standard SMILES
N#CC1C(C#N)C2CC1C1OC21- InChIKey
NSCWIMQSESDHTH-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 3-Oxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarbonitrile
- IUPAC
- 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarbonitrile
Names & synonyms
90458-42-7NSC525923-Oxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarbonitrileDTXSID20287816NSC-52592
Database identifiers
- CAS
90458-42-7- PubChem CID
- 243239
- DTXSID
DTXSID20287816
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…