CAS 16090-77-0 | Octanedioic acid, 1,8-dibutyl ester | CAS Number 16090-77-0

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16090-77-0 | Octanedioic acid, 1,8-dibutyl ester

CAS No: 16090-77-0 Catalog No: AG001VGY MDL No:

Product Description

Catalog Number:

AG001VGY

Chemical Name:

Octanedioic acid, 1,8-dibutyl ester

CAS Number:

16090-77-0

Molecular Formula:

C16H30O4

Molecular Weight:

286.4070

IUPAC Name:

dibutyl octanedioate

InChI:

InChI=1S/C16H30O4/c1-3-5-13-19-15(17)11-9-7-8-10-12-16(18)20-14-6-4-2/h3-14H2,1-2H3

InChI Key:

LBXQUCHUHCBNTC-UHFFFAOYSA-N

SMILES:

CCCCOC(=O)CCCCCCC(=O)OCCCC

EC Number:

240-251-5

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.214g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.412g/mol

Monoisotopic Mass:

286.214g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Sorption in reconstituted waxes of homologous series of alcohol ethoxylates and n-alkyl esters and their effects on the mobility of 2,4-dichlorophenoxybutyric acid.	Pest management science 20050401
Effects of accelerators on mobility of 14C-2,4-dichlorophenoxy butyric acid in plant cuticles depends on type and concentration of accelerator.	Journal of agricultural and food chemistry 20050323