Home Carboxys Methyl 3-cyanoindole-6-carboxylate

Methyl 3-cyanoindole-6-carboxylate

CAS No.:
1000576-51-1
Catalog Number:
AG0000R1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0000R1
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
InChI:
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
InChI Key:
YBZVEPCMUWGFNW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]cc2C#N
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  
Properties