4-(3,5-dimethylphenyl)-3-methylbenzoic acid


Chemical Name: 4-(3,5-dimethylphenyl)-3-methylbenzoic acid
CAS Number: 1261971-14-5
Product Number: AG000SA6(AGN-PC-09NZMK)
Synonyms:
MDL No:
Molecular Formula: C16H16O2
Molecular Weight: 240.2970

Identification/Properties


Computed Properties
Molecular Weight:
240.302g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
240.115g/mol
Monoisotopic Mass:
240.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
290
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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