Basic information
- Standard SMILES
COc1ccc2c(c1OC)CC2C#N- InChIKey
LLHQASFFYHSBBB-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
Names & identifiers
- Preferred name
- 1,2-Dihydro-3,4-dimethoxybenzocyclobutene-1-carbonitrile
- IUPAC
- 2,3-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
Names & synonyms
SCHEMBL3153725LLHQASFFYHSBBB-UHFFFAOYSA-N1,2-Dihydro-3,4-dimethoxybenzocyclobutene-1-carbonitrile
Database identifiers
- PubChem CID
- 13596014
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
2 records
Compound notes
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