Basic information
- CAS
152590-26-6- Standard SMILES
CCCOC(=O)CC(C(=O)O)c1ccccc1- InChIKey
ZJGDAXGMMQANHC-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
Names & identifiers
- Preferred name
- 4-Oxo-2-phenyl-4-propoxybutanoic acid
- IUPAC
- 4-oxo-2-phenyl-4-propoxybutanoic acid
- English name
- Butanedioic acid, phenyl-, 4-propyl ester (9CI)
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
4-oxo-2-phenyl-4-propoxybutanoic acid152590-26-6Butanedioic acid, phenyl-, 4-propyl ester (9CI)Butanedioic acid, 2-phenyl-, 4-propyl ester
Database identifiers
- CAS
152590-26-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 368.5 · 368.5±30.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 3.79 · 3.79±0.10(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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