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89900-95-8,MFCD03791240
Catalog No.:AA006OSW

89900-95-8 | Methyl 4-(4-cyanophenyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$266.00   $186.00
- +
5g
98%
in stock  
$774.00   $542.00
- +
25g
98%
in stock  
$2,680.00 $1,876.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006OSW
Chemical Name:
Methyl 4-(4-cyanophenyl)benzoate
CAS Number:
89900-95-8
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD03791240
SMILES:
COC(=O)c1ccc(cc1)c1ccc(cc1)C#N
Properties
Properties
 
Form:
Solid  
MP:
130-133°C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
328  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16003-16013

[2]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.35-38

[1]Bioorganicandmedicinalchemistryletters,2020

[2]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.35-38

89901-03-1   
copper(l)cyanide 
  89900-95-8 

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.5457-5479

[1]JournalofOrganicChemistry,2012,vol.77,p.2885-2892

[2]JournalofOrganicChemistry,2011,vol.76,p.9946-9955

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:89900-95-8 Molecular Formula|89900-95-8 MDL|89900-95-8 SMILES|89900-95-8 Methyl 4-(4-cyanophenyl)benzoate
Catalog No.: AA006OSW
89900-95-8,MFCD03791240
89900-95-8 | Methyl 4-(4-cyanophenyl)benzoate
Pack Size： 1g
Purity： 98%
in stock
$266.00 $186.00
Pack Size： 5g
Purity： 98%
in stock
$774.00 $542.00
Pack Size： 25g
Purity： 98%
in stock
$2,680.00 $1,876.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006OSW
Chemical Name: Methyl 4-(4-cyanophenyl)benzoate
CAS Number: 89900-95-8
Molecular Formula: C15H11NO2
Molecular Weight: 237.2533
MDL Number: MFCD03791240
SMILES: COC(=O)c1ccc(cc1)c1ccc(cc1)C#N
Properties
Form: Solid  
MP: 130-133°C  
Storage: Room Temperature;  
Complexity: 328  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
67-56-1    5728-46-1    89900-95-8 

[1]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16003-16013

[2]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.35-38

89900-95-8    5728-46-1 

[1]Bioorganicandmedicinalchemistryletters,2020

[2]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.35-38

89901-03-1   
copper(l)cyanide 
  89900-95-8 

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.5457-5479

905966-40-7    138373-10-1    89900-95-8 

[1]JournalofOrganicChemistry,2012,vol.77,p.2885-2892

[2]JournalofOrganicChemistry,2011,vol.76,p.9946-9955

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