1H-Pyrazole-3-carboxylicacid, 5-(2,5-dimethoxyphenyl)-


Chemical Name: 1H-Pyrazole-3-carboxylicacid, 5-(2,5-dimethoxyphenyl)-
CAS Number: 882238-14-4
Product Number: AG008B92(AGN-PC-0OLJWQ)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O4
Molecular Weight: 248.2347

Identification/Properties


Computed Properties
Molecular Weight:
248.238g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
248.08g/mol
Monoisotopic Mass:
248.08g/mol
Topological Polar Surface Area:
84.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
300
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#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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