Basic information
- CAS
88729-12-8- Standard SMILES
COC1=CC2CC(C#N)C2(OC)C=C1- InChIKey
SZEINRUJTKLUFC-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 3,6-dimethoxy-
- IUPAC
- 3,6-dimethoxybicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
Names & synonyms
88729-12-8Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 3,6-dimethoxy-NSC6005723,6-dimethoxybicyclo[4.2.0]octa-2,4-diene-7-carbonitrileDTXSID80326538NSC-600572
Database identifiers
- CAS
88729-12-8- PubChem CID
- 353166
- DTXSID
DTXSID80326538
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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