6-Quinazolinecarbonitrile, 3,4-dihydro-4-oxo-


Chemical Name: 6-Quinazolinecarbonitrile, 3,4-dihydro-4-oxo-
CAS Number: 117297-41-3
Product Number: AG000E30(AGN-PC-0NZ8JL)
Synonyms:
MDL No:
Molecular Formula: C9H5N3O
Molecular Weight: 171.1555

Identification/Properties


Computed Properties
Molecular Weight:
171.159g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
171.043g/mol
Monoisotopic Mass:
171.043g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
301
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


Other Analytical Data


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