CAS 116754-80-4 | Benzenepentadecanoic acid, β-methyl- | CAS Number 116754-80-4

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116754-80-4 | Benzenepentadecanoic acid, β-methyl-

CAS No: 116754-80-4 Catalog No: AG000D6O MDL No:

Product Description

Catalog Number:

AG000D6O

Chemical Name:

Benzenepentadecanoic acid, β-methyl-

CAS Number:

116754-80-4

Molecular Formula:

C22H36O2

Molecular Weight:

332.5200

IUPAC Name:

3-methyl-15-phenylpentadecanoic acid

InChI:

InChI=1S/C22H36O2/c1-20(19-22(23)24)15-11-8-6-4-2-3-5-7-9-12-16-21-17-13-10-14-18-21/h10,13-14,17-18,20H,2-9,11-12,15-16,19H2,1H3,(H,23,24)

InChI Key:

GETJXADZUDOMNR-UHFFFAOYSA-N

SMILES:

OC(=O)CC(CCCCCCCCCCCCc1ccccc1)C

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.272g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.528g/mol

Monoisotopic Mass:

332.272g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.4

Literature

Title	Journal
The effect of the surface coverage of the phosphonic acid terminated self-assembled monolayers on the electrochemical behavior of dopamine.	Talanta 20100515
Lysophospholipids induce the nucleation and extension of beta2-microglobulin-related amyloid fibrils at a neutral pH.	Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association 20081001
[Rapid analysis of glufosinate by improving the bulletin method and its application to soybean and corn].	Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20020601
Imaging of cardiac metabolism using radiolabelled glucose, fatty acids and acetate.	Coronary artery disease 20010201