4-Hydroxy-2-oxo-4-phenylbut-3-enoic acid
Basic information
- CAS
103344-70-3- Standard SMILES
O=C(O)C(=O)C=C(O)c1ccccc1- InChIKey
QXZSEJLYYQDPRN-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.04225873
Names & identifiers
- Preferred name
- 4-Hydroxy-2-oxo-4-phenylbut-3-enoic acid
- IUPAC
- 4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
- English name
- 2-hydroxy-4-oxo-4-phenylbut-2-enoic acid
- Molecular formula
- C10H8O4
- Molecular weight
- 192.17
Names & synonyms
103344-70-34-hydroxy-2-oxo-4-phenylbut-3-enoic acidDTXSID60333609RefChem:293175DTXCID302846992-hydroxy-4-oxo-4-phenylbut-2-enoic acid(Z)-2-hydroxy-4-oxo-4-phenylbut-2-enoic acid2-Hydroxy-4-oxo-4-phenyl-2-butenoic acid2-Butenoic acid, 2-hydroxy-4-oxo-4-phenyl-, (2Z)-113416-61-8SCHEMBL3305717SCHEMBL3305722
Show more names
SCHEMBL3305728SCHEMBL6662254MNQJVITWJHOBFE-UHFFFAOYSA-N4-Phenyl-2-hydroxy-4-oxo-2-butenoic acid4-hydroxy-2-oxo-4-phenyl but-3-enoic acid
Database identifiers
- CAS
103344-70-3- PubChem CID
- 514093
- DTXSID
DTXSID60333609
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 149 · 149-150 °C (decomp)(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 371.4 · 371.4±42.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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