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54931-62-3,MFCD03030456
Catalog No.:AA00DCKI

54931-62-3 | 2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$276.00   $193.00
- +
1g
95%
in stock  
$616.00   $431.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DCKI
Chemical Name:
2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS Number:
54931-62-3
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD03030456
SMILES:
OC(=O)c1cn(C)c(=O)c2c1cccc2
Properties
Computed Properties
 
Complexity:
335  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Dieckmann;Meiser[ChemischeBerichte,1908,vol.41,p.3259]

54931-62-3    1448440-51-4   
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide 

[1]CurrentPatentAssignee:PRAXISBIOTECHLLC-US2019/185451,2019,A1Locationinpatent:Paragraph0544-0547

Literature
Quotation Request
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SDS
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Tags:54931-62-3 Molecular Formula|54931-62-3 MDL|54931-62-3 SMILES|54931-62-3 2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Catalog No.: AA00DCKI
54931-62-3,MFCD03030456
54931-62-3 | 2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Pack Size： 250mg
Purity： 95%
in stock
$276.00 $193.00
Pack Size： 1g
Purity： 95%
in stock
$616.00 $431.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DCKI
Chemical Name: 2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS Number: 54931-62-3
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941
MDL Number: MFCD03030456
SMILES: OC(=O)c1cn(C)c(=O)c2c1cccc2
Properties
Complexity: 335  
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: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
861542-86-1    54931-62-3 

[1]Dieckmann;Meiser[ChemischeBerichte,1908,vol.41,p.3259]

54931-62-3    1448440-51-4   
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide 

[1]CurrentPatentAssignee:PRAXISBIOTECHLLC-US2019/185451,2019,A1Locationinpatent:Paragraph0544-0547

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