3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-


Chemical Name: 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-
CAS Number: 1672-63-5
Product Number: AG00AKA4(AGN-PC-0JM3AN)
Synonyms:
MDL No:
Molecular Formula: C11H12N2O2
Molecular Weight: 204.2252

Identification/Properties


Computed Properties
Molecular Weight:
204.229g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
204.09g/mol
Monoisotopic Mass:
204.09g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
306
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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