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938-96-5,MFCD00128847
Catalog No.:AA003ETS

938-96-5 | 2-(4-Hydroxyphenyl)propionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$12.00   $8.00
- +
1g
98%
in stock  
$23.00   $16.00
- +
5g
98%
in stock  
$108.00   $75.00
- +
25g
>98.0%(T)(HPLC)
in stock  
$461.00   $323.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003ETS
Chemical Name:
2-(4-Hydroxyphenyl)propionic acid
CAS Number:
938-96-5
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00128847
SMILES:
OC(=O)C(c1ccc(cc1)O)C
Properties
Properties
 
BP:
254.38°C (rough estimate)  
Form:
Solid  
MP:
131.6 °C  
Refractive Index:
1.5760 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
159  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.332-344

[2]CollectionofCzechoslovakChemicalCommunications,1981,vol.46,p.1173-1187

[1]JournalofMedicinalChemistry,2005,vol.48,p.4312-4331

[1]Allegretti,Marcello;Bertini,Riccardo;Cesta,MariaCandida;Bizzarri,Cinzia;DiBitondo,Rosa;DiCioccio,Vito;Galliera,Emanuela;Berdini,Valerio;Topai,Alessandra;Zampella,Giuseppe;Russo,Vincenzo;DiBello,Nicoletta;Nano,Giuseppe;Nicolini,Luca;Locati,Massimo;Fantucci,Piercarlo;Florio,Saverio;Colotta,Francesco[JournalofMedicinalChemistry,2005,vol.48,#13,p.4312-4331]

[1]Chemistry-AEuropeanJournal,2019,vol.25,p.9001-9005

Literature

Title: Profiling of alkaloids and eremophilanes in miracle tea (Packera candidissima and P. bellidifolia) products.

Journal: Journal of natural products 20120525

Title: [Study on chemical constituents of the Ixeris chinensis].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111101

Title: Metabolic changes reveal the development of schistosomiasis in mice.

Journal: PLoS neglected tropical diseases 20100801

Title: The red clover isoflavone irilone is largely resistant to degradation by the human gut microbiota.

Journal: Molecular nutrition & food research 20100701

Title: 2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

Journal: Journal of medicinal chemistry 20050630

Title: Transformation of flavonoids by intestinal microorganisms.

Journal: International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition 20030301

Title: Anaerobic C-ring cleavage of genistein and daidzein by Eubacterium ramulus.

Journal: FEMS microbiology letters 20020305

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SDS
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