3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-


Chemical Name: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-
CAS Number: 60-80-0
Product Number: AG00IAN3(AGN-PC-00UMZQ)
Synonyms:
MDL No:
Molecular Formula: C11H12N2O
Molecular Weight: 188.2258

Identification/Properties


Properties
MP:
109-111 °C(lit.)
BP:
319°C
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.5850 (estimate)
Solubility:
H2O: soluble1 gm in less than 1ml
Computed Properties
Molecular Weight:
188.23g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
188.095g/mol
Monoisotopic Mass:
188.095g/mol
Topological Polar Surface Area:
23.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
267
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

Safety Information


NMR Spectrum


Other Analytical Data


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