3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-


Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-
CAS Number: 89-25-8
Product Number: AG0087X2(AGN-PC-03EAVU)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O
Molecular Weight: 174.1992

Identification/Properties


Computed Properties
Molecular Weight:
174.203g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
174.079g/mol
Monoisotopic Mass:
174.079g/mol
Topological Polar Surface Area:
32.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
241
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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