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M35800

4-Methylcinnamic acid, predominantly trans

Name: 4-Methylcinnamic acid, predominantly <I>trans</I>
Brand: ALDRICH

99%

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About This Item

Linear Formula:

CH₃C₆H₄CH=CHCO₂H

CAS Number:

1866-39-3

Molecular Weight:

162.19

NACRES:

NA.22

PubChem Substance ID:

24896857

UNSPSC Code:

12352100

EC Number:

217-479-9

MDL number:

MFCD00002697

Assay:

99%

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Properties

Quality Level

100

assay

99%

mp

196-198 °C (lit.)

SMILES string

Cc1ccc(cc1)\C=C\C(O)=O

InChI

1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

InChI key

RURHILYUWQEGOS-VOTSOKGWSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).

J P D van Veldhoven et al.

Bioorganic & medicinal chemistry letters, 21(9), 2736-2739 (2010-12-21)

Nicotinic acid (niacin) has been used for decades as an antidyslipidemic drug in man. Its main target is the hydroxy-carboxylic acid receptor HCA2 (GPR109A), a G protein-coupled receptor. Other acids and esters such as methyl fumarate also interact with the

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation