1H-Pyrazole-4-carboxylic acid, 1-ethyl-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-ethyl-, ethyl ester
CAS Number: 447401-91-4
Product Number: AG003Q0Q(AGN-PC-01MMP2)
Synonyms:
MDL No: MFCD16620009
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
161
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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