4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid


Chemical Name: 4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid
CAS Number: 170355-78-9
Product Number: AG00AKR6(AGN-PC-0JN7K5)
Synonyms:
MDL No: MFCD13176719
Molecular Formula: C31H34O5
Molecular Weight: 486.5987

Identification/Properties


Computed Properties
Molecular Weight:
486.608g/mol
XLogP3:
7.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
486.241g/mol
Monoisotopic Mass:
486.241g/mol
Topological Polar Surface Area:
65A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
717
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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