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33797-36-3,MFCD18398342
Catalog No.:AA00D18E

33797-36-3 | 2-(3-Methoxy-2-methylphenyl)acetic acid

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100mg
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in stock  
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250mg
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$353.00   $247.00
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500mg
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$602.00   $421.00
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1g
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$880.00   $616.00
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2g
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$1,726.00   $1,208.00
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5g
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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:
AA00D18E
Chemical Name:
2-(3-Methoxy-2-methylphenyl)acetic acid
CAS Number:
33797-36-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD18398342
SMILES:
COc1cccc(c1C)CC(=O)O
Properties
Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Taylor,SimonJ.;Demont,EmmanuelH.;Gray,James;Deeks,Nigel;Patel,Aarti;Nguyen,Dung;Taylor,Maxine;Hood,Steve;Watson,RobertJ.;Bit,RinoA.;McClure,Fiona;Ashall,Holly;Witherington,Jason[JournalofMedicinalChemistry,2015,vol.58,#20,p.8236-8256]

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2016/24059,2016,A1Locationinpatent:Paragraph0401-0402

[3]Mukharji,P.C.etal.[IndianJournalofChemistry,1971,vol.9,p.515-523]

[1]Alvarado,Joseph;Fournier,Jeremy;Zakarian,Armen[AngewandteChemie-InternationalEdition,2016,vol.55,#38,p.11625-11628][Angew.Chem.,2016,vol.128,p.11797-11800]

[2]Cossey,AilsaL.;Gunter,MaxwellJ.;Mander,LewisN.[TetrahedronLetters,1980,vol.21,#34,p.3309-3312]

[1]Cossey,AilsaL.;Gunter,MaxwellJ.;Mander,LewisN.[TetrahedronLetters,1980,vol.21,#34,p.3309-3312]

[2]Alvarado,Joseph;Fournier,Jeremy;Zakarian,Armen[AngewandteChemie-InternationalEdition,2016,vol.55,#38,p.11625-11628][Angew.Chem.,2016,vol.128,p.11797-11800]

[1]Cossey,AilsaL.;Gunter,MaxwellJ.;Mander,LewisN.[TetrahedronLetters,1980,vol.21,#34,p.3309-3312]

[2]Alvarado,Joseph;Fournier,Jeremy;Zakarian,Armen[AngewandteChemie-InternationalEdition,2016,vol.55,#38,p.11625-11628][Angew.Chem.,2016,vol.128,p.11797-11800]

[1]Cossey,AilsaL.;Gunter,MaxwellJ.;Mander,LewisN.[TetrahedronLetters,1980,vol.21,#34,p.3309-3312]

Literature
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SDS
Tags:33797-36-3 Molecular Formula|33797-36-3 MDL|33797-36-3 SMILES|33797-36-3 2-(3-Methoxy-2-methylphenyl)acetic acid