Isoferulic acid

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For Research Use Only.

Category

Phenylpropanoids

Cat.No.

NP5403

CAS

25522-33-2

Product Name

Isoferulic acid

Structure

Product Details

Description

Isoferulic acid isolated from the roots of Cimicifuga foetida L.

Synonyms

(E)-3-(3-Hydroxy-4-methoxyphenyl)propenoic acid;3-Hydroxy-4-methoxy-trans-cinnamic acid;trans-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid;trans-Isoferulic acid

IUPAC Name

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

Molecular Weight

194.2

Molecular Formula

C10H10O4

Canonical SMILES

COC1=C(C=C(C=C1)C=CC(=O)O)O

InChI

InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

InChIKey

QURCVMIEKCOAJU-HWKANZROSA-N

Boiling Point

410.2±35.0 °C(Predicted)

Melting Point

230-236°C

Purity

> 95%

Density

1.316±0.06 g/cm3(Predicted)

Appearance

Powder

Storage

Sealed in dry,2-8°C

EINECS

247-071-6

pKa

4.53±0.10(Predicted)

Uses

3-Hydroxy-4-methoxycinnamic acid, trans-Isoferulic acid.

WGK Germany

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