4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid


Chemical Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
CAS Number: 104561-41-3
Product Number: AG007XSO(AGN-PC-0N2EQE)
Synonyms:
MDL No: MFCD18086921
Molecular Formula: C23H24O2
Molecular Weight: 332.4355

Identification/Properties


Computed Properties
Molecular Weight:
332.443g/mol
XLogP3:
6.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
332.178g/mol
Monoisotopic Mass:
332.178g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
565
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


NMR Spectrum


Other Analytical Data


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