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Sodium 3,4,5-Trimethoxycinnamate - >98.0%(T), high purity , CAS No.127427-04-7

COA

Grade & Purity:

≥98%(T)

Cas Number: 127427-04-7
Molecular Weight: 260.22
PubChem CID: 23665054

In stock

Item Number

S161418

Grouped product items
SKU	Size	Availability	Price
S161418-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
S161418-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
S161418-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$304.90

Discover Sodium 3,4,5-Trimethoxycinnamate by Aladdin Scientific in >98.0%(T) for only $20.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	['3,4,5-Trimethoxycinnamic Acid Sodium Salt']
Specifications & Purity	≥98%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Hydroxycinnamic acids and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Coumaric acids and derivatives
Alternative Parents	Cinnamic acids Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Coumaric acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	sodium;(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
INCHI	InChI=1S/C12H14O5.Na/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3;/h4-7H,1-3H3,(H,13,14);/q;+1/p-1/b5-4+;
InChIKey	CNDQKFLPUDASFN-FXRZFVDSSA-M
Smiles	COC1=CC(=CC(=C1OC)OC)C=CC(=O)[O-].[Na+]
Isomeric SMILES	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)[O-].[Na+]
PubChem CID	23665054
Molecular Weight	260.22
Reaxy-Rn	9817743

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.220 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	260.066 Da
Monoisotopic Mass	260.066 Da
Topological Polar Surface Area	67.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	268.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	2

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