Basic information
- CAS
807628-97-3- Standard SMILES
COc1c(C#N)c(C)c(OC)c2c1CC2O- InChIKey
NDFCJMBTBSWYMG-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- 7-Hydroxy-2,5-dimethoxy-4-methylbicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile
- IUPAC
- 7-hydroxy-2,5-dimethoxy-4-methylbicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile
- English name
- Bicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile, 7-hydroxy-2,5-dimethoxy-4-methyl- (9CI)
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
Bicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile, 7-hydroxy-2,5-dimethoxy-4-methyl-Bicyclo[4.2.0]octa-1,3,5-triene-3-carbonitrile, 7-hydroxy-2,5-dimethoxy-4-methyl- (9CI)
Database identifiers
- CAS
807628-97-3
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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