Home Carboxys Ethyl indole-3-carboxylate

Ethyl indole-3-carboxylate

CAS No.:
776-41-0
Catalog Number:
AG003QFH
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$12
- +
10g
97%
In Stock USA
United States
$100
- +
25g
97%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003QFH
Chemical Name:
Ethyl indole-3-carboxylate
CAS Number:
776-41-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00228454
IUPAC Name:
ethyl 1H-indole-3-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChI Key:
XOUHVMVYFOXTMN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1cccc2
NSC Number:
63796
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Ethyl 1-acetyl-1H-indole-3-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090801
Properties