CAS 86960-47-6 | Benzoic acid, 4-[(1-oxohexadecyl)oxy]- | CAS Number 86960-47-6

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86960-47-6 | Benzoic acid, 4-[(1-oxohexadecyl)oxy]-

CAS No: 86960-47-6 Catalog No: AG004L48 MDL No:

Product Description

Catalog Number:

AG004L48

Chemical Name:

Benzoic acid, 4-[(1-oxohexadecyl)oxy]-

CAS Number:

86960-47-6

Molecular Formula:

C23H36O4

Molecular Weight:

376.5295

IUPAC Name:

4-hexadecanoyloxybenzoic acid

InChI:

InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3,(H,25,26)

InChI Key:

JUHOZBFDQVTUOE-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)O

Properties

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

376.261g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

376.537g/mol

Monoisotopic Mass:

376.261g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.5

Literature

Title	Journal
Photophysical properties of novel lanthanide (Tb3+, Dy3+, Eu3+) complexes with long chain para-carboxyphenol ester p-L-benzoate (L=dodecanoyloxy, myristoyloxy, palmitoyloxy and stearoyloxy).	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070201