2-(1H-pyrazol-4-yl)acetic acid


Chemical Name: 2-(1H-pyrazol-4-yl)acetic acid
CAS Number: 934172-55-1
Product Number: AG00H350(AGN-PC-02VEI1)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
126.043g/mol
Monoisotopic Mass:
126.043g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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