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198623-55-1,MFCD12025085
Catalog No.:AA002BKA

198623-55-1 | Benzoic acid, 3,5-diethoxy-, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$121.00   $85.00
- +
250mg
95%
in stock  
$201.00   $141.00
- +
500mg
95%
in stock  
$289.00   $203.00
- +
1g
95%
in stock  
$405.00   $284.00
- +
2g
95%
in stock  
$770.00   $539.00
- +
5g
95%
in stock  
$1,234.00   $864.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002BKA
Chemical Name:
Benzoic acid, 3,5-diethoxy-, methyl ester
CAS Number:
198623-55-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD12025085
SMILES:
CCOc1cc(OCC)cc(c1)C(=O)OC
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Connolly,CleoJ.C.;Hamby,JamesM.;Schroeder,MelC.;Barvian,Mark;Lu,GinaH.;Panek,RobertL.;Amar,Aneesa;Shen,Cindy;Kraker,AlanJ.;Fry,DavidW.;Klohs,WayneD.;Doherty,AnnetteM.[BioorganicandMedicinalChemistryLetters,1997,vol.7,#18,p.2415-2420]

[1]Connolly,CleoJ.C.;Hamby,JamesM.;Schroeder,MelC.;Barvian,Mark;Lu,GinaH.;Panek,RobertL.;Amar,Aneesa;Shen,Cindy;Kraker,AlanJ.;Fry,DavidW.;Klohs,WayneD.;Doherty,AnnetteM.[BioorganicandMedicinalChemistryLetters,1997,vol.7,#18,p.2415-2420]

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3281-3286

4885-02-3    198623-55-1   
3,5-diethoxy-2-formyl-benzoicacidmethylester 

[1]Maresh,Justin;Zhang,Jin;Tzeng,Yih-Ling;Goodman,NoraA.;Lynn,DavidG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3281-3286]

198623-55-1   
4,6-diethoxy-3-hydroxy-3H-isobenzofuran-1-one 

[1]Maresh,Justin;Zhang,Jin;Tzeng,Yih-Ling;Goodman,NoraA.;Lynn,DavidG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3281-3286]

Literature
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SDS
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Tags:198623-55-1 Molecular Formula|198623-55-1 MDL|198623-55-1 SMILES|198623-55-1 Benzoic acid, 3,5-diethoxy-, methyl ester
Catalog No.: AA002BKA
198623-55-1,MFCD12025085
198623-55-1 | Benzoic acid, 3,5-diethoxy-, methyl ester
Pack Size： 100mg
Purity： 95%
in stock
$121.00 $85.00
Pack Size： 250mg
Purity： 95%
in stock
$201.00 $141.00
Pack Size： 500mg
Purity： 95%
in stock
$289.00 $203.00
Pack Size： 1g
Purity： 95%
in stock
$405.00 $284.00
Pack Size： 2g
Purity： 95%
in stock
$770.00 $539.00
Pack Size： 5g
Purity： 95%
in stock
$1,234.00 $864.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002BKA
Chemical Name: Benzoic acid, 3,5-diethoxy-, methyl ester
CAS Number: 198623-55-1
Molecular Formula: C12H16O4
Molecular Weight: 224.2530
MDL Number: MFCD12025085
SMILES: CCOc1cc(OCC)cc(c1)C(=O)OC
Properties
Complexity: 203  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
2150-44-9    75-03-6    198623-55-1 

[1]Connolly,CleoJ.C.;Hamby,JamesM.;Schroeder,MelC.;Barvian,Mark;Lu,GinaH.;Panek,RobertL.;Amar,Aneesa;Shen,Cindy;Kraker,AlanJ.;Fry,DavidW.;Klohs,WayneD.;Doherty,AnnetteM.[BioorganicandMedicinalChemistryLetters,1997,vol.7,#18,p.2415-2420]

198623-55-1    198623-56-2 

[1]Connolly,CleoJ.C.;Hamby,JamesM.;Schroeder,MelC.;Barvian,Mark;Lu,GinaH.;Panek,RobertL.;Amar,Aneesa;Shen,Cindy;Kraker,AlanJ.;Fry,DavidW.;Klohs,WayneD.;Doherty,AnnetteM.[BioorganicandMedicinalChemistryLetters,1997,vol.7,#18,p.2415-2420]

124480-95-1    18107-18-1    198623-55-1 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3281-3286

4885-02-3    198623-55-1   
3,5-diethoxy-2-formyl-benzoicacidmethylester 

[1]Maresh,Justin;Zhang,Jin;Tzeng,Yih-Ling;Goodman,NoraA.;Lynn,DavidG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3281-3286]

198623-55-1   
4,6-diethoxy-3-hydroxy-3H-isobenzofuran-1-one 

[1]Maresh,Justin;Zhang,Jin;Tzeng,Yih-Ling;Goodman,NoraA.;Lynn,DavidG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3281-3286]

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1314398-14-5
1314398-14-5
92289-37-7
92289-37-7
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