1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester
CAS Number: 81153-64-2
Product Number: AG003AXM(AGN-PC-0NCHV2)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O2
Molecular Weight: 230.2625

Identification/Properties


Properties
MP:
128 - 130°C
BP:
128-130°C/2.25mm
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.568
Computed Properties
Molecular Weight:
230.267g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
230.106g/mol
Monoisotopic Mass:
230.106g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
264
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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