3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-


Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-
CAS Number: 2749-59-9
Product Number: AG00I57J(AGN-PC-0JKDLM)
Synonyms:
MDL No:
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298

Identification/Properties


Computed Properties
Molecular Weight:
112.132g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
112.064g/mol
Monoisotopic Mass:
112.064g/mol
Topological Polar Surface Area:
32.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
151
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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