4-Amino-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid


Chemical Name: 4-Amino-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
CAS Number: 1190305-94-2
Product Number: AG000P3I(AGN-PC-0WAMFV)
Synonyms:
MDL No: MFCD28977481
Molecular Formula: C11H11N3O3
Molecular Weight: 233.2233

Identification/Properties


Computed Properties
Molecular Weight:
233.227g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
233.08g/mol
Monoisotopic Mass:
233.08g/mol
Topological Polar Surface Area:
90.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
279
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-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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