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17131-52-1,MFCD00044272
Catalog No.:AA0077O5

17131-52-1 | 3-(4-Methoxyphenoxy)propane-1,2-diol

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250mg
4 weeks  
$233.00   $163.00
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500mg
4 weeks  
$286.00   $200.00
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1g
4 weeks  
$367.00   $257.00
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2g
4 weeks  
$500.00   $350.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0077O5
Chemical Name:
3-(4-Methoxyphenoxy)propane-1,2-diol
CAS Number:
17131-52-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD00044272
SMILES:
OCC(COc1ccc(cc1)OC)O
NSC Number:
113106
Properties
Computed Properties
 
Complexity:
143  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Dishong,DennisM.;Diamond,CraigJ.;Cinoman,MichaelI.;Gokel,GeogeW.[JournaloftheAmericanChemicalSociety,1983,vol.105,#3,p.586-593]

[2]Osa,Yumiko;Hikima,Yuka;Sato,Yoko;Takino,Kouichi;Ida,Yoshihiro;Hirono,Shuichi;Nagase,Hiroshi[JournalofOrganicChemistry,2005,vol.70,#14,p.5737-5740]

[1]Guimond,Nicolas;MacDonald,MelissaJ.;Lemieux,Valerie;Beauchemin,AndreM.[JournaloftheAmericanChemicalSociety,2012,vol.134,#40,p.16571-16577,7]

[2]Fayzullin;Antonovich;Zakharychev;Bredikhina;Kurenkov;Bredikhin[RussianJournalofOrganicChemistry,2015,vol.51,#2,p.202-209][Zh.Org.Khim.,2015,vol.51,#2,p.214-221]

[3]Ueda,T.etal.[Chemicalandpharmaceuticalbulletin,1960,vol.8,p.921-929]

[4]Gandolfi,CarmeloA.;Domenico,RobertoDi;Spinelli,Silvano;Gallico,Licia;Fiocchi,Luigi;etal.[JournalofMedicinalChemistry,1995,vol.38,#3,p.508-525]

[5]CurrentPatentAssignee:ROCHEHOLDINGAG-EP303227,1989,A1

[6]Bredikhina,ZemfiraA.;Kurenkov,AlexeyV.;Bredikhin,AlexanderA.[MendeleevCommunications,2019,vol.29,#2,p.198-199]

[1]RussianJournalofOrganicChemistry,2015,vol.51,p.202-209    Zh.Org.Khim.,2015,vol.51,p.214-221

[2]RussianChemicalBulletin,2008,vol.57,p.2320-2323

[1]RussianChemicalBulletin,2008,vol.57,p.2320-2323

Literature
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SDS
Tags:17131-52-1 Molecular Formula|17131-52-1 MDL|17131-52-1 SMILES|17131-52-1 3-(4-Methoxyphenoxy)propane-1,2-diol