Ethanone, 1-(1H-pyrazol-4-yl)-


Chemical Name: Ethanone, 1-(1H-pyrazol-4-yl)-
CAS Number: 25016-16-4
Product Number: AG002Q7I(AGN-PC-0JSZH5)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O
Molecular Weight: 110.1139

Identification/Properties


Computed Properties
Molecular Weight:
110.116g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
110.048g/mol
Monoisotopic Mass:
110.048g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
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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