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117738-82-6,MFCD09271826
Catalog No.:AA000HO7

117738-82-6 | 3-Cyano-4-methoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$24.00   $17.00
- +
1g
95%
in stock  
$61.00   $43.00
- +
25g
98%
in stock  
$1,281.00   $897.00
- +
100g
98%
in stock  
$3,824.00 $2,677.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000HO7
Chemical Name:
3-Cyano-4-methoxybenzoic acid
CAS Number:
117738-82-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09271826
SMILES:
N#Cc1cc(ccc1OC)C(=O)O
Properties
Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route
14097-40-6    117738-82-6   
3-cyano-4-methoxy-<i>N</i>-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzamide 

[1]Chan,WaiN.;Hadley,MichaelS.;Harling,JohnD.;Herdon,HughJ.;Orlek,BarryS.;Riley,GrahamJ.;Stead,RachelE.A.;Stean,TaniaO.;Thompson,Mervyn;Upton,Neil;Ward,RobertW.[BioorganicandMedicinalChemistry,2000,vol.8,#8,p.2085-2094]

117738-82-6   
3-Cyano-4-methoxybenzoylguanidinehydrochloride 

[1]CurrentPatentAssignee:SANOFI-US5866610,1999,A

[1]Patent:EP279698,1990,A3

99-58-1   
copper(l)cyanide 
  117738-82-6 

[1]Patent:WO2009/78983,2009,A1.Locationinpatent:Page/Pagecolumn86

Literature
Quotation Request
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SDS
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6631-38-5

6631-38-5
Tags:117738-82-6 Molecular Formula|117738-82-6 MDL|117738-82-6 SMILES|117738-82-6 3-Cyano-4-methoxybenzoic acid
Catalog No.: AA000HO7
117738-82-6,MFCD09271826
117738-82-6 | 3-Cyano-4-methoxybenzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 1g
Purity： 95%
in stock
$61.00 $43.00
Pack Size： 25g
Purity： 98%
in stock
$1,281.00 $897.00
Pack Size： 100g
Purity： 98%
in stock
$3,824.00 $2,677.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000HO7
Chemical Name: 3-Cyano-4-methoxybenzoic acid
CAS Number: 117738-82-6
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568
MDL Number: MFCD09271826
SMILES: N#Cc1cc(ccc1OC)C(=O)O
Properties
Complexity: 243  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
14097-40-6    117738-82-6   
3-cyano-4-methoxy-<i>N</i>-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzamide 

[1]Chan,WaiN.;Hadley,MichaelS.;Harling,JohnD.;Herdon,HughJ.;Orlek,BarryS.;Riley,GrahamJ.;Stead,RachelE.A.;Stean,TaniaO.;Thompson,Mervyn;Upton,Neil;Ward,RobertW.[BioorganicandMedicinalChemistry,2000,vol.8,#8,p.2085-2094]

117738-82-6   
3-Cyano-4-methoxybenzoylguanidinehydrochloride 

[1]CurrentPatentAssignee:SANOFI-US5866610,1999,A

2840-26-8    117738-82-6 

[1]Patent:EP279698,1990,A3

99-58-1   
copper(l)cyanide 
  117738-82-6 

[1]Patent:WO2009/78983,2009,A1.Locationinpatent:Page/Pagecolumn86

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6631-38-5
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