Basic information
- Standard SMILES
COc1cccc2c1C(C#N)C2- InChIKey
IWUKRWVKRYRULA-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 1-Cyano-4-methoxybenzocyclobutene
- IUPAC
- 5-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
Names & synonyms
SCHEMBL31631011-cyano-4-methoxybenzocyclobuteneIWUKRWVKRYRULA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18690136
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
3 records
Compound notes
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