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AA00773

1000576-51-1 | Methyl 3-cyanoindole-6-carboxylate

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% In Stock US $86.00 $60.00 -   +
1g 95% In Stock US $258.00 $180.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00773
Chemical Name: Methyl 3-cyanoindole-6-carboxylate
CAS Number: 1000576-51-1
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934
MDL Number: MFCD09878564
IUPAC Name: methyl 3-cyano-1H-indole-6-carboxylate
InChl: InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3
InChl Key: YBZVEPCMUWGFNW-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2c(c1)[nH]cc2C#N

 

Computed Properties
Complexity: 307  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 200.059g/mol
Formal Charge: 0
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 200.197g/mol
Monoisotopic Mass: 200.059g/mol
Rotatable Bond Count: 2  
Topological Polar Surface Area: 65.9A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.2  

 

 

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