Basic information
- CAS
358388-38-2- Standard SMILES
C=CCOc1ccc(OCC)c(C#N)c1- InChIKey
MVEZNKOCPOPUPZ-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 5-(Allyloxy)-2-ethoxybenzonitrile
- IUPAC
- 2-ethoxy-5-prop-2-enoxybenzonitrile
- English name
- Benzonitrile, 2-ethoxy-5-(2-propenyloxy)- (9CI)
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
358388-38-25-(Allyloxy)-2-ethoxybenzonitrileSCHEMBL59013075-Allyloxy-2-ethoxybenzonitrileMVEZNKOCPOPUPZ-UHFFFAOYSA-NDB-285693BENZONITRILE, 2-ETHOXY-5-(2-PROPENYLOXY)-Benzonitrile, 2-ethoxy-5-(2-propen-1-yloxy)-Benzonitrile, 2-ethoxy-5-(2-propenyloxy)- (9CI)
Database identifiers
- CAS
358388-38-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 339.6 · 339.6±32.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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