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Home Other Building Blocks 1,3-Diacetylindole

1,3-Diacetylindole

CAS No.:
17537-64-3
Catalog Number:
AG0020XY
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$31
- +
5g
98%
In Stock USA
United States
$106
- +
25g
98%
In Stock USA
United States
$437
- +
Product Description
Catalog Number:
AG0020XY
Chemical Name:
1,3-Diacetylindole
CAS Number:
17537-64-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00039692
IUPAC Name:
1-(1-acetylindol-3-yl)ethanone
InChI:
InChI=1S/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3
InChI Key:
STUZJORZRZCLRI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cn(c2c1cccc2)C(=O)C
EC Number:
241-532-5
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201
Properties