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258273-31-3,MFCD09271830
Catalog No.:AA00BDDI

258273-31-3 | 3-Cyano-4-isopropoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$16.00   $12.00
- +
10g
98%
in stock  
$28.00   $19.00
- +
100g
98%
in stock  
$266.00   $186.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BDDI
Chemical Name:
3-Cyano-4-isopropoxybenzoic acid
CAS Number:
258273-31-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD09271830
SMILES:
N#Cc1cc(ccc1OC(C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Upstream Synthesis Route

[1]Patent:US2010/249071,2010,A1,.Locationinpatent:Page/Pagecolumn60-61

[2]Patent:WO2017/4608,2017,A1,.Locationinpatent:Paragraph0159

[3]Patent:WO2005/107762,2005,A2,.Locationinpatent:Page/Pagecolumn194-220

[4]Patent:WO2007/56056,2007,A2,.Locationinpatent:Page/Pagecolumn53

[5]Patent:WO2005/58848,2005,A1,.Locationinpatent:Page/Pagecolumn47

[6]Patent:WO2011/72488,2011,A1,.Locationinpatent:Page/Pagecolumn16;27

[7]Patent:US2012/283297,2012,A1,.Locationinpatent:Page/Pagecolumn18

[8]Patent:WO2016/164180,2016,A1,.Locationinpatent:Paragraph0144

[9]Patent:CN106674044,2017,A,.Locationinpatent:Paragraph0022

[1]Patent:WO2011/5290,2011,A1,.Locationinpatent:Page/Pagecolumn52

[2]Patent:WO2011/72488,2011,A1,.Locationinpatent:Page/Pagecolumn16;28

[3]Patent:US2012/283297,2012,A1,.Locationinpatent:Page/Pagecolumn18

[1]Patent:WO2011/72488,2011,A1,

[2]Patent:US2012/283297,2012,A1,

[3]Patent:WO2017/4608,2017,A1,

[4]Patent:CN106674044,2017,A,

[1]Patent:WO2011/5290,2011,A1,

[2]Patent:WO2011/72488,2011,A1,

[3]Patent:US2012/283297,2012,A1,

[1]Patent:WO2011/72488,2011,A1,

[2]Patent:US2012/283297,2012,A1,

[3]Patent:WO2017/4608,2017,A1,

Downstream Synthesis Route

[1]Patent:US2010/249071,2010,A1.Locationinpatent:Page/Pagecolumn60-61

[2]Patent:WO2017/4608,2017,A1.Locationinpatent:Paragraph0159

[3]Patent:WO2005/107762,2005,A2.Locationinpatent:Page/Pagecolumn194-220

[4]Patent:WO2007/56056,2007,A2.Locationinpatent:Page/Pagecolumn53

[5]Patent:WO2005/58848,2005,A1.Locationinpatent:Page/Pagecolumn47

[6]Patent:WO2011/72488,2011,A1.Locationinpatent:Page/Pagecolumn16;27

[7]Patent:US2012/283297,2012,A1.Locationinpatent:Page/Pagecolumn18

[8]Patent:WO2016/164180,2016,A1.Locationinpatent:Paragraph0144

[9]Patent:CN106674044,2017,A.Locationinpatent:Paragraph0022

[1]CurrentPatentAssignee:PFIZERINC-WO2011/5290,2011,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/72488,2011,A1

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2012/283297,2012,A1

[1]Patent:WO2011/59784,2011,A1.Locationinpatent:Page/Pagecolumn142

[1]Patent:WO2011/72488,2011,A1

[2]Patent:WO2016/164180,2016,A1

[3]Patent:WO2017/4608,2017,A1

[1]Patent:WO2011/72488,2011,A1

[2]Patent:US2012/283297,2012,A1

[3]Patent:WO2016/164180,2016,A1

Literature
Quotation Request
Company Name:
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Contact Person:
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Additional Info:
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SDS
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Tags:258273-31-3 Molecular Formula|258273-31-3 MDL|258273-31-3 SMILES|258273-31-3 3-Cyano-4-isopropoxybenzoic acid
Catalog No.: AA00BDDI
258273-31-3,MFCD09271830
258273-31-3 | 3-Cyano-4-isopropoxybenzoic acid
Pack Size： 250mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 5g
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 10g
Purity： 98%
in stock
$28.00 $19.00
Pack Size： 100g
Purity： 98%
in stock
$266.00 $186.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BDDI
Chemical Name: 3-Cyano-4-isopropoxybenzoic acid
CAS Number: 258273-31-3
Molecular Formula: C11H11NO3
Molecular Weight: 205.2099
MDL Number: MFCD09271830
SMILES: N#Cc1cc(ccc1OC(C)C)C(=O)O
Properties
Complexity: 279  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Upstream Synthesis Route
213598-11-9    258273-31-3 

[1]Patent:US2010/249071,2010,A1,.Locationinpatent:Page/Pagecolumn60-61

[2]Patent:WO2017/4608,2017,A1,.Locationinpatent:Paragraph0159

[3]Patent:WO2005/107762,2005,A2,.Locationinpatent:Page/Pagecolumn194-220

[4]Patent:WO2007/56056,2007,A2,.Locationinpatent:Page/Pagecolumn53

[5]Patent:WO2005/58848,2005,A1,.Locationinpatent:Page/Pagecolumn47

[6]Patent:WO2011/72488,2011,A1,.Locationinpatent:Page/Pagecolumn16;27

[7]Patent:US2012/283297,2012,A1,.Locationinpatent:Page/Pagecolumn18

[8]Patent:WO2016/164180,2016,A1,.Locationinpatent:Paragraph0144

[9]Patent:CN106674044,2017,A,.Locationinpatent:Paragraph0022

1261173-10-7    258273-31-3 

[1]Patent:WO2011/5290,2011,A1,.Locationinpatent:Page/Pagecolumn52

[2]Patent:WO2011/72488,2011,A1,.Locationinpatent:Page/Pagecolumn16;28

[3]Patent:US2012/283297,2012,A1,.Locationinpatent:Page/Pagecolumn18

99-76-3    258273-31-3 

[1]Patent:WO2011/72488,2011,A1,

[2]Patent:US2012/283297,2012,A1,

[3]Patent:WO2017/4608,2017,A1,

[4]Patent:CN106674044,2017,A,

14348-41-5    258273-31-3 

[1]Patent:WO2011/5290,2011,A1,

[2]Patent:WO2011/72488,2011,A1,

[3]Patent:US2012/283297,2012,A1,

15126-06-4    258273-31-3 

[1]Patent:WO2011/72488,2011,A1,

[2]Patent:US2012/283297,2012,A1,

[3]Patent:WO2017/4608,2017,A1,

Downstream Synthesis Route
213598-11-9    258273-31-3 

[1]Patent:US2010/249071,2010,A1.Locationinpatent:Page/Pagecolumn60-61

[2]Patent:WO2017/4608,2017,A1.Locationinpatent:Paragraph0159

[3]Patent:WO2005/107762,2005,A2.Locationinpatent:Page/Pagecolumn194-220

[4]Patent:WO2007/56056,2007,A2.Locationinpatent:Page/Pagecolumn53

[5]Patent:WO2005/58848,2005,A1.Locationinpatent:Page/Pagecolumn47

[6]Patent:WO2011/72488,2011,A1.Locationinpatent:Page/Pagecolumn16;27

[7]Patent:US2012/283297,2012,A1.Locationinpatent:Page/Pagecolumn18

[8]Patent:WO2016/164180,2016,A1.Locationinpatent:Paragraph0144

[9]Patent:CN106674044,2017,A.Locationinpatent:Paragraph0022

14348-41-5    258273-31-3 

[1]CurrentPatentAssignee:PFIZERINC-WO2011/5290,2011,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/72488,2011,A1

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2012/283297,2012,A1

258273-31-3    67-56-1    213598-11-9 

[1]Patent:WO2011/59784,2011,A1.Locationinpatent:Page/Pagecolumn142

156001-68-2    258273-31-3 

[1]Patent:WO2011/72488,2011,A1

[2]Patent:WO2016/164180,2016,A1

[3]Patent:WO2017/4608,2017,A1

29415-97-2    258273-31-3 

[1]Patent:WO2011/72488,2011,A1

[2]Patent:US2012/283297,2012,A1

[3]Patent:WO2016/164180,2016,A1

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