3-oxo-1,2-dihydroisoindole-5-carbonitrile


Chemical Name: 3-oxo-1,2-dihydroisoindole-5-carbonitrile
CAS Number: 1261726-80-0
Product Number: AG000RZ9(AGN-PC-02K3P9)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O
Molecular Weight: 158.1567

Identification/Properties


Computed Properties
Molecular Weight:
158.16g/mol
XLogP3:
0.5
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

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NMR Spectrum


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