3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-


Chemical Name: 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-
CAS Number: 4344-87-0
Product Number: AG001120(AGN-PC-0JOYAP)
Synonyms:
MDL No:
Molecular Formula: C4H6N2O
Molecular Weight: 98.1032

Identification/Properties


Computed Properties
Molecular Weight:
98.105g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
98.048g/mol
Monoisotopic Mass:
98.048g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
128
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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