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621-51-2,MFCD00016517
Catalog No.:AA00IAWD

621-51-2 | 3-Ethoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$37.00   $26.00
- +
25g
97%
in stock  
$77.00   $54.00
- +
100g
97%
in stock  
$253.00   $177.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IAWD
Chemical Name:
3-Ethoxybenzoic acid
CAS Number:
621-51-2
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00016517
SMILES:
CCOc1cccc(c1)C(=O)O
Properties
Properties
 
BP:
305.7°C at 760 mmHg  
Form:
Solid  
MP:
136-140 °C(lit. )  
Refractive Index:
1.5260 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
156  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]VanCalenbergh;Verlinde;Seehens;DeBruyn;Callens;Blaton;Peeters;Rozenski;Hol;Herdewijn[JournalofMedicinalChemistry,1995,vol.38,#19,p.3838-3849]

[2]Pierce;Salsbury;Fredericksen[JournaloftheAmericanChemicalSociety,1942,vol.64,p.1691,1692]

[3]Pierce;Salsbury;Fredericksen[JournaloftheAmericanChemicalSociety,1942,vol.64,p.1691,1692]

[1]MagneticResonanceinChemistry,1989,vol.27,p.585-591

[1]Master,HoshangE.;Khan,ShabanaI.;Poojari,KrishnaA.[BioorganicandMedicinalChemistry,2005,vol.13,#16,p.4891-4899]

[2]CurrentPatentAssignee:THEROSKAMPINST-WO2020/154420,2020,A2Locationinpatent:Page/Pagecolumn44

[3]Master,HoshangE.;Khan,ShabanaI.;Poojari,KrishnaA.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#7,p.1249-1251]

[1]JournalofMassSpectrometry,2008,vol.43,p.1224-1234

[2]EuropeanJournalofMedicinalChemistry,2021,vol.211

[1]JournalofMedicinalChemistry,2020,vol.63,p.4655-4684

Literature
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SDS
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Tags:621-51-2 Molecular Formula|621-51-2 MDL|621-51-2 SMILES|621-51-2 3-Ethoxybenzoic acid