3-(1H-indol-3-yl)-3-oxopropanenitrile


Chemical Name: 3-(1H-indol-3-yl)-3-oxopropanenitrile
CAS Number: 20356-45-0
Product Number: AG0028YR(AGN-PC-0KGN0B)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O
Molecular Weight: 184.1940

Identification/Properties


Computed Properties
Molecular Weight:
184.198g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
184.064g/mol
Monoisotopic Mass:
184.064g/mol
Topological Polar Surface Area:
56.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
278
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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