1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester
CAS Number: 85230-37-1
Product Number: AG0038E6(AGN-PC-0OJRTY)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O3
Molecular Weight: 156.1393

Identification/Properties


Computed Properties
Molecular Weight:
156.141g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
156.053g/mol
Monoisotopic Mass:
156.053g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
222
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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