Basic information
- Standard SMILES
COc1ccc(C(C)(C)C#N)cc1C=O- InChIKey
RUXSQEYENMEHGB-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 5-(1-Cyano-1-methylethyl)-2-methoxybenzaldehyde
- IUPAC
- 2-(3-formyl-4-methoxyphenyl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL7587116RUXSQEYENMEHGB-UHFFFAOYSA-N5-(1-Cyano-1-methylethyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066437
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
3 records
Compound notes
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