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Home Carboxys tert-Butyl 3-formyl-1h-indole-1-carboxylate

tert-Butyl 3-formyl-1h-indole-1-carboxylate

CAS No.:
57476-50-3
Catalog Number:
AG00E9R6
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$225
- +
500g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00E9R6
Chemical Name:
tert-Butyl 3-formyl-1h-indole-1-carboxylate
CAS Number:
57476-50-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD00049230
IUPAC Name:
tert-butyl 3-formylindole-1-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3
InChI Key:
GDYHUGFAKMUUQL-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Malassezin--A novel agonist of the arylhydrocarbon receptor from the yeast Malassezia furfur. Bioorganic & medicinal chemistry 20010401
Properties