1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-, ethyl ester
CAS Number: 78208-72-7
Product Number: AG008NGH(AGN-PC-0LTBIH)
Synonyms:
MDL No:
Molecular Formula: C9H14N2O2
Molecular Weight: 182.2197

Identification/Properties


Computed Properties
Molecular Weight:
182.223g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
182.106g/mol
Monoisotopic Mass:
182.106g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
183
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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