CAS 1083-27-8 | Hexyl 4-hydroxybenzoate | CAS Number 1083-27-8

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1083-27-8 | Hexyl 4-hydroxybenzoate

CAS No: 1083-27-8 Catalog No: AG003QXE MDL No:MFCD00016480

Product Description

Catalog Number:

AG003QXE

Chemical Name:

Hexyl 4-hydroxybenzoate

CAS Number:

1083-27-8

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

MDL Number:

MFCD00016480

IUPAC Name:

hexyl 4-hydroxybenzoate

InChI:

InChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3

InChI Key:

ULULAZKOCFNOIM-UHFFFAOYSA-N

SMILES:

CCCCCCOC(=O)c1ccc(cc1)O

UNII:

14Y8G9635E

Properties

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.284g/mol

Monoisotopic Mass:

222.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.	Journal of pharmaceutical sciences 20100301
Determination of paclitaxel in human and rat blood samples after administration of low dose paclitaxel by HPLC-UV detection.	Biomedical chromatography : BMC 20070301
Molecular design of antifungal agents.	Journal of agricultural and food chemistry 20020703