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99839-17-5,MFCD19228373
Catalog No.:AA01A3AZ

99839-17-5 | 3-Cyano-3,3-dimethylpropanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
1 week  
$112.00   $79.00
- +
250mg
98%
1 week  
$189.00   $133.00
- +
1g
98%
1 week  
$480.00   $336.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01A3AZ
Chemical Name:
3-Cyano-3,3-dimethylpropanoic acid
CAS Number:
99839-17-5
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD19228373
SMILES:
N#CC(CC(=O)O)(C)C
Properties
Computed Properties
 
Complexity:
163  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.3  

Downstream Synthesis Route

[1]Coffmanetal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2882,2886]

[1]Foucaud,A.[BulletindelaSocieteChimiquedeFrance,1963,p.873-876]Wideqvist[ArkivfoerKemi,1951,vol.3,p.281,286,289,299]

[2]Foucaud,A.[BulletindelaSocieteChimiquedeFrance,1963,p.873-876]

[1]CurrentPatentAssignee:VIVACETHERAPEUTICS-WO2019/222431,2019,A1Locationinpatent:Paragraph00396

[2]Wideqvist[ArkivfoerKemi,1951,vol.3,p.59,65,66]

[3]Arnott,DavidM.;Harrison,PeterJ.;Henderson,GraemeB.;Sheng,Zhi-Chu;Leeper,FinianJ.;Battersby,AlanR.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.265-278]

[1]Arnott,DavidM.;Harrison,PeterJ.;Henderson,GraemeB.;Sheng,Zhi-Chu;Leeper,FinianJ.;Battersby,AlanR.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.265-278]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2018/83105,2018,A1Locationinpatent:Page/Pagecolumn165

[1]Coffmanetal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2882,2886]

Literature
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SDS
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Tags:99839-17-5 Molecular Formula|99839-17-5 MDL|99839-17-5 SMILES|99839-17-5 3-Cyano-3,3-dimethylpropanoic acid
Catalog No.: AA01A3AZ
99839-17-5,MFCD19228373
99839-17-5 | 3-Cyano-3,3-dimethylpropanoic acid
Pack Size： 100mg
Purity： 98%
1 week
$112.00 $79.00
Pack Size： 250mg
Purity： 98%
1 week
$189.00 $133.00
Pack Size： 1g
Purity： 98%
1 week
$480.00 $336.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01A3AZ
Chemical Name: 3-Cyano-3,3-dimethylpropanoic acid
CAS Number: 99839-17-5
Molecular Formula: C6H9NO2
Molecular Weight: 127.1412
MDL Number: MFCD19228373
SMILES: N#CC(CC(=O)O)(C)C
Properties
Complexity: 163  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.3  
Downstream Synthesis Route
99839-17-5    597-43-3 

[1]Coffmanetal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2882,2886]

99839-17-5    89531-68-0 

[1]Foucaud,A.[BulletindelaSocieteChimiquedeFrance,1963,p.873-876]Wideqvist[ArkivfoerKemi,1951,vol.3,p.281,286,289,299]

[2]Foucaud,A.[BulletindelaSocieteChimiquedeFrance,1963,p.873-876]

100568-19-2    99839-17-5 

[1]CurrentPatentAssignee:VIVACETHERAPEUTICS-WO2019/222431,2019,A1Locationinpatent:Paragraph00396

[2]Wideqvist[ArkivfoerKemi,1951,vol.3,p.59,65,66]

[3]Arnott,DavidM.;Harrison,PeterJ.;Henderson,GraemeB.;Sheng,Zhi-Chu;Leeper,FinianJ.;Battersby,AlanR.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.265-278]

99839-17-5    121103-57-9 

[1]Arnott,DavidM.;Harrison,PeterJ.;Henderson,GraemeB.;Sheng,Zhi-Chu;Leeper,FinianJ.;Battersby,AlanR.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.265-278]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2018/83105,2018,A1Locationinpatent:Page/Pagecolumn165

630-18-2    7664-93-9    7722-84-1   
iron(II)sulfate 
  99839-17-5    597-43-3    10526-16-6 

[1]Coffmanetal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2882,2886]

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