1-tert-butyl-1H-pyrazole-4-carboxylic acid


Chemical Name: 1-tert-butyl-1H-pyrazole-4-carboxylic acid
CAS Number: 950858-65-8
Product Number: AG006PTX(AGN-PC-04PHMF)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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