1H-Pyrazole-3-carboxylic acid, 1-methyl-


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 1-methyl-
CAS Number: 25016-20-0
Product Number: AG002Q7F(AGN-PC-0JT43D)
Synonyms:
MDL No: MFCD00464254
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Properties
MP:
150-152 °C
BP:
306.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
126.043g/mol
Monoisotopic Mass:
126.043g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
126
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:
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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