1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-


Chemical Name: 1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-
CAS Number: 199327-63-4
Product Number: AG002C2D(AGN-PC-0KKVDE)
Synonyms:
MDL No: MFCD02179606
Molecular Formula: C9H6N2O
Molecular Weight: 158.1567

Identification/Properties


Computed Properties
Molecular Weight:
158.16g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
158.048g/mol
Monoisotopic Mass:
158.048g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
253
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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