CAS 117241-31-3 | Benzoic acid, 3,4,5-tris(dodecyloxy)- | CAS Number 117241-31-3

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117241-31-3 | Benzoic acid, 3,4,5-tris(dodecyloxy)-

CAS No: 117241-31-3 Catalog No: AG000DYS MDL No:

Product Description

Catalog Number:

AG000DYS

Chemical Name:

Benzoic acid, 3,4,5-tris(dodecyloxy)-

CAS Number:

117241-31-3

Molecular Formula:

C43H78O5

Molecular Weight:

675.0764

IUPAC Name:

3,4,5-tridodecoxybenzoic acid

InChI:

InChI=1S/C43H78O5/c1-4-7-10-13-16-19-22-25-28-31-34-46-40-37-39(43(44)45)38-41(47-35-32-29-26-23-20-17-14-11-8-5-2)42(40)48-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3,(H,44,45)

InChI Key:

CEJSFFKDFWPORO-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCC)C(=O)O

Properties

Complexity:

634

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

674.585g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

675.092g/mol

Monoisotopic Mass:

674.585g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

18.1

Literature

Title	Journal
Controlled polymerization and self-assembly of halogen-bridged diruthenium complexes in organic media and their dielectrophoretic alignment.	Journal of the American Chemical Society 20120118
Transcription of chirality in the organogel systems dictates the enantiodifferentiating photodimerization of substituted anthracene.	Chemistry (Weinheim an der Bergstrasse, Germany) 20100322
Artificial lipids stabilized camptothecin incorporated in liposomes.	Biological & pharmaceutical bulletin 20080501