Basic information
- CAS
5801-57-0- Standard SMILES
O=C(O)C(O)=Cc1ccccc1- InChIKey
DEDGUGJNLNLJSR-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Overview
Enol-phenylpyruvic acid is a 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position. It is a 2-hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an acrylic acid. It is a conjugate acid of an enol-phenylpyruvate. It is a tautomer of a keto-phenylpyruvic acid.
Names & identifiers
- Preferred name
- enol-Phenylpyruvic acid
- IUPAC
- 2-hydroxy-3-phenylprop-2-enoic acid
- English name
- 1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6
- Molecular formula
- C9H8O3
- Molecular weight
- 164.16
Names & synonyms
enol-Phenylpyruvic acid2-hydroxy-3-phenylprop-2-enoic acidCHEBI:32815enol-alpha-Ketohydrocinnamic acidRefChem:1084096Aspartate Impurity 11SCHEMBL141612SCHEMBL113150112-Hydroxy-3-phenyl-acrylic acidDEDGUGJNLNLJSR-UHFFFAOYSA-NDTXSID7012950812-Hydroxy-3-phenyl-2-propenoic acid
Show more names
(Z)-2-hydroxy-3-phenylacrylic acid2-Hydroxy-3-phenylacrylic acid2-Propenoic acid, 2-hydroxy-3-phenyl-1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6
2-hydroxy-3-phenyl-prop-2-enoic acidQ27104236
Database identifiers
- CAS
5801-57-0- PubChem CID
- 691
- DTXSID
DTXSID701295081- ChEBI
CHEBI:32815
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 210 · 210-212 °C(Solv: acetic acid (64-19-7); benzene (71-43-2))
- Boiling point
- 343.7 · 343.7±42.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxy-3-phenyl-acrylic Acid is a chemical reagent in the synthesis of an atropos biphenyl biphosphine ligand as well as in the synthesis of novel cinnamanilides as potential immunosuppressive agents.
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
海南骅翔医药科技有限公司18389863383 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
1 records
Compound notes
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