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94742-93-5,MFCD09800518
Catalog No.:AA00IIFB

94742-93-5 | 2-Cyano-5-methoxy-3-methyl-benzoic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$366.00   $257.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IIFB
Chemical Name:
2-Cyano-5-methoxy-3-methyl-benzoic acid methyl ester
CAS Number:
94742-93-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD09800518
SMILES:
COc1cc(C)c(c(c1)C(=O)OC)C#N
Properties
Computed Properties
 
Complexity:
281  
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:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

Literature
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SDS
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1402673-66-8
Tags:94742-93-5 Molecular Formula|94742-93-5 MDL|94742-93-5 SMILES|94742-93-5 2-Cyano-5-methoxy-3-methyl-benzoic acid methyl ester
Catalog No.: AA00IIFB
94742-93-5,MFCD09800518
94742-93-5 | 2-Cyano-5-methoxy-3-methyl-benzoic acid methyl ester
Pack Size： 1g
Purity： 97%
in stock
$366.00 $257.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IIFB
Chemical Name: 2-Cyano-5-methoxy-3-methyl-benzoic acid methyl ester
CAS Number: 94742-93-5
Molecular Formula: C11H11NO3
Molecular Weight: 205.2099
MDL Number: MFCD09800518
SMILES: COc1cc(C)c(c(c1)C(=O)OC)C#N
Properties
Complexity: 281  
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: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
544-92-3    94742-92-4    94742-93-5 

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

94742-93-5    103203-38-9 

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

2615-71-6    94742-93-5 

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

94742-89-9    94742-93-5 

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

94742-93-5    94742-94-6 

[1]Carvalho,ChristopherF.;Sargent,MelvynV.;Stanojevic,Edi[AustralianJournalofChemistry,1984,vol.37,#26,p.2111-2117]

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1402673-66-8
1402673-66-8
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