Basic information
- CAS
71172-66-2- Standard SMILES
COC(CCC#N)c1ccc(C)cc1- InChIKey
VYZZDHXIPDBIEV-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 4-Methoxy-4-(4-methylphenyl)butanenitrile
- IUPAC
- 4-methoxy-4-(4-methylphenyl)butanenitrile
- English name
- gamma-methoxy-4-methylbenzenebutenenitrile
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
71172-66-24-methoxy-4-(4-methylphenyl)butanenitrilegamma-Methoxy-4-methylbenzenebutenenitrileNSC66268EINECS 275-237-8DTXSID101283262NSC 66268NSC-66268Benzenebutanenitrile, g-methoxy-4-methyl-I(3)-Methoxy-4-methylbenzenebutanenitrileDS-010098γ-Methoxy-4-methylbenzenebutanenitrile
Show more names
Benzenebutanenitrile, γ-methoxy-4-methyl-
Database identifiers
- CAS
71172-66-2- PubChem CID
- 97993
- DTXSID
DTXSID101283262- EC Number
- 275-237-8
- Nikkaji
- J308.735B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 310.756 · 310.756±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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