Basic information
- Standard SMILES
COc1ccc(C2(C#N)CCCCC2)cc1C=O- InChIKey
HFNCOWMYHOSRTA-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- 5-(1-Cyanocyclohexyl)-2-methoxybenzaldehyde
- IUPAC
- 1-(3-formyl-4-methoxyphenyl)cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL7585046HFNCOWMYHOSRTA-UHFFFAOYSA-N5-(1-Cyanocyclohexyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066486
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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