Basic information
- CAS
797775-90-7- Standard SMILES
Cc1ccc(/C(C#N)=C/c2ccc(C)o2)cc1- InChIKey
FTMCEXGFVOFNGL-NTEUORMPSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
Names & identifiers
- Preferred name
- (Z)-3-(5-methylfuran-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
- IUPAC
- (Z)-3-(5-methylfuran-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
- English name
- Benzeneacetonitrile, 4-methyl-alpha-[(5-methyl-2-furanyl)methylene]- (9CI)
- Molecular formula
- C15H13NO
- Molecular weight
- 223.26982
Names & synonyms
Benzeneacetonitrile, 4-methyl-α-[(5-methyl-2-furanyl)methylene]-Benzeneacetonitrile, 4-methyl-alpha-[(5-methyl-2-furanyl)methylene]- (9CI)
Database identifiers
- CAS
797775-90-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 334.9 · 334.9±30.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 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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