1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid


Chemical Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid
CAS Number: 956199-09-0
Product Number: AG00IJ90(AGN-PC-0KGS04)
Synonyms:
MDL No: MFCD06375943
Molecular Formula: C19H18N2O2
Molecular Weight: 306.3584

Identification/Properties


Computed Properties
Molecular Weight:
306.365g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
306.137g/mol
Monoisotopic Mass:
306.137g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
408
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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