CAS 16260-26-7 | Tetradecanoic acid, octyl ester | CAS Number 16260-26-7

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16260-26-7 | Tetradecanoic acid, octyl ester

CAS No: 16260-26-7 Catalog No: AG001T9H MDL No:

Product Description

Catalog Number:

AG001T9H

Chemical Name:

Tetradecanoic acid, octyl ester

CAS Number:

16260-26-7

Molecular Formula:

C22H44O2

Molecular Weight:

340.5836

IUPAC Name:

octyl tetradecanoate

InChI:

InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22(23)24-21-19-17-10-8-6-4-2/h3-21H2,1-2H3

InChI Key:

QWPNJOHZHSJFIY-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCC(=O)OCCCCCCCC

EC Number:

240-368-1

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.334g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.592g/mol

Monoisotopic Mass:

340.334g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.8

Literature

Title	Journal
Design, synthesis, antibacterial, and QSAR studies of myristic acid derivatives.	Bioorganic & medicinal chemistry letters 20060601
Identification and quantification of n-octyl esters of alkanoic and hexanedioic acids and phthalates as urban wastewater markers in biota and sediments from estuarine areas.	Journal of chromatography. A 20040813