Home Carboxys Ethyl indole-4-carboxylate

Ethyl indole-4-carboxylate

CAS No.:
50614-84-1
Catalog Number:
AG00DACT
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00DACT
Chemical Name:
Ethyl indole-4-carboxylate
CAS Number:
50614-84-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00009738
IUPAC Name:
ethyl 1H-indole-4-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-2-14-11(13)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,2H2,1H3
InChI Key:
ZIUDZKABRXGZFO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cc[nH]2
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:
2  
Literature
Title Journal
3,3-Dimethyl-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-1,2-dione (bruceolline E). Acta crystallographica. Section E, Structure reports online 20120201
Properties