Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester


Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester
CAS Number: 2082-79-3
Product Number: AG00I3ZH(AGN-PC-0QWNX7)
Synonyms:
MDL No:
Molecular Formula: C35H62O3
Molecular Weight: 530.8650

Identification/Properties


Computed Properties
Molecular Weight:
530.878g/mol
XLogP3:
13.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
23
Exact Mass:
530.47g/mol
Monoisotopic Mass:
530.47g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
561
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

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NMR Spectrum


Other Analytical Data


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