Ethyl 3-hydroxy-2-(2-methylphenyl)prop-2-enoate
Basic information
- CAS
795274-97-4- Standard SMILES
CCOC(=O)C(=CO)c1ccccc1C- InChIKey
NFFVYZINOHIIAI-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-2-(2-methylphenyl)prop-2-enoate
- IUPAC
- ethyl 3-hydroxy-2-(2-methylphenyl)prop-2-enoate
- English name
- Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
Database identifiers
- CAS
795274-97-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 336.642 · 336.642±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.564 · 4.564±0.50(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…