Home Carboxys Methyl 3-cyanoindole-4-carboxylate

Methyl 3-cyanoindole-4-carboxylate

CAS No.:
939793-19-8
Catalog Number:
AG003RRZ
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003RRZ
Chemical Name:
Methyl 3-cyanoindole-4-carboxylate
CAS Number:
939793-19-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09260613
IUPAC Name:
methyl 3-cyano-1H-indole-4-carboxylate
InChI:
InChI=1S/C11H8N2O2/c1-15-11(14)8-3-2-4-9-10(8)7(5-12)6-13-9/h2-4,6,13H,1H3
InChI Key:
NMPYJMZQCATEKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(C#N)c[nH]2
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:
1.6  
Properties