5-Methoxy-2-methylbenzonitrile
Basic information
- CAS
22246-19-1- Standard SMILES
COc1ccc(C)c(C#N)c1- InChIKey
BHWYFZMTYODWOD-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 5-Methoxy-2-methylbenzonitrile
- IUPAC
- 5-methoxy-2-methylbenzonitrile
- English name
- 5-Methoxy-2-methylbenzonitrile
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17386
Names & synonyms
5-methoxy-2-methylbenzonitrile22246-19-1Benzonitrile, 5-methoxy-2-methyl-SCHEMBL509547SCHEMBL35484955-methoxy-2-methyl-benzonitrileDTXSID101305690MFCD14534358DB-382728CS-0377260A1-58835
Database identifiers
- CAS
22246-19-1- PubChem CID
- 54005253
- DTXSID
DTXSID101305690
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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