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72775-83-8,MFCD00075781
Catalog No.:AA00FVMY

72775-83-8 | (3-Ethoxyphenyl)acetic acid

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1g
98%
in stock  
$45.00   $32.00
- +
5g
98%
in stock  
$95.00   $67.00
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25g
98%
in stock  
$311.00   $218.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FVMY
Chemical Name:
(3-Ethoxyphenyl)acetic acid
CAS Number:
72775-83-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00075781
SMILES:
CCOc1cccc(c1)CC(=O)O
Properties
Computed Properties
 
Complexity:
168  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Shepardetal.[JournalofOrganicChemistry,1952,vol.17,p.568,570]

72775-83-8    120-20-7   
(3-ethoxy-phenyl)-aceticacid-(3,4-dimethoxy-phenethylamide) 

[1]Shepardetal.[JournalofOrganicChemistry,1952,vol.17,p.568,570]

[1]Copp,FrederickC.;Franzmann,KarlW.;Grundy,Julian;Whalley,W.Basil[JournaloftheChemicalSociety.PerkintransactionsI,1985,p.2455-2462]

[1]Pendergast;Johnson;Dickerson;Dev;Duch;Ferone;Hall;Humphreys;Kelly;Wilson[JournalofMedicinalChemistry,1993,vol.36,#16,p.2279-2291]

[2]Li,Jing-Ran;Li,Dong-Dong;Wang,Rong-Rong;Sun,Jian;Dong,Jing-Jun;Du,Qian-Ru;Fang,Fei;Zhang,Wei-Ming;Zhu,Hai-Liang[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.438-447]

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2005/103050,2005,A2Locationinpatent:Page/Pagecolumn170-171

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2004/41813,2004,A1Locationinpatent:Page116

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2005/105780,2005,A2Locationinpatent:Page/Pagecolumn69

[4]Pendergast;Johnson;Dickerson;Dev;Duch;Ferone;Hall;Humphreys;Kelly;Wilson[JournalofMedicinalChemistry,1993,vol.36,#16,p.2279-2291]

[5]CurrentPatentAssignee:ASTELLASPHARMAINC.-US5405851,1995,A

[6]CurrentPatentAssignee:ASTELLASPHARMAINC.-EP1199307,2002,A1Locationinpatent:Page13

Literature
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SDS
Tags:72775-83-8 Molecular Formula|72775-83-8 MDL|72775-83-8 SMILES|72775-83-8 (3-Ethoxyphenyl)acetic acid