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3-(3-Methoxyphenyl)propionic acid - ≥98%, high purity , CAS No.10516-71-9

COA

Grade & Purity:

≥98%

Cas Number: 10516-71-9
Molecular Weight: 180.2
PubChem CID: 66336
PubChem SID: 504754065

In stock

Item Number

M137968

Grouped product items
SKU	Size	Availability	Price
M137968-5g	5g	8	$34.90
M137968-25g	25g	7	$133.90
M137968-100g	100g	1	$478.90

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Metabolite (5307)

Basic Description

Synonyms	3-Methoxybenzenepropanoate \| Benzenepropanoic acid, 3-methoxy- \| EN300-24221 \| HY-W016482 \| 3-(3-Methoxyphenyl)propionic acid \| 3-(3-Methoxy-phenyl)-propionic acid \| 3-(3-methoxyphenyl)-propionic acid \| EINECS 234-049-6 \| 3-Methoxy- \| Q27160309 \| .beta.-(
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	It can be prepared by the catalytic (palladium on charcoal) reduction of its corresponding unsaturated acid with H2. It may be used in chemical synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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

Pubchem Sid	504754065
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754065
IUPAC Name	3-(3-methoxyphenyl)propanoic acid
INCHI	InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey	BJJQJLOZWBZEGA-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1)CCC(=O)O
Isomeric SMILES	COC1=CC=CC(=C1)CCC(=O)O
WGK Germany	2
Molecular Weight	180.2
Reaxy-Rn	1874422
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874422&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H2309450	Certificate of Analysis	May 12, 2025	M137968
H2309452	Certificate of Analysis	May 12, 2025	M137968
H2309451	Certificate of Analysis	May 12, 2025	M137968
H2309449	Certificate of Analysis	May 12, 2025	M137968
D2412276	Certificate of Analysis	Mar 20, 2024	M137968
E1916140	Certificate of Analysis	Jan 20, 2023	M137968
L2208397	Certificate of Analysis	Dec 16, 2022	M137968
L2205522	Certificate of Analysis	Dec 08, 2022	M137968

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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