Home Aldehydes N-Acetylindole-3-carboxaldehyde

N-Acetylindole-3-carboxaldehyde

CAS No.:
22948-94-3
Catalog Number:
AG002LMN
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$76
- +
25g
98%
In Stock USA
United States
$243
- +
Product Description
Catalog Number:
AG002LMN
Chemical Name:
N-Acetylindole-3-carboxaldehyde
CAS Number:
22948-94-3
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00039691
IUPAC Name:
1-acetylindole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChI Key:
LCJLFGSKHBDOAY-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)C(=O)C
EC Number:
245-347-0
NSC Number:
61289
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Properties