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


Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-4-methyl-
CAS Number: 13315-23-6
Product Number: AG0014CC(AGN-PC-0JM3BN)
Synonyms:
MDL No: MFCD00003093
Molecular Formula: C4H6N2O
Molecular Weight: 98.1032

Identification/Properties


Properties
MP:
230-232°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
98.105g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
98.048g/mol
Monoisotopic Mass:
98.048g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
119
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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