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

CAS: 10516-71-9 Cat. No.: M137968 Formula: C₁₀H₁₂O₃ Peso molecolare: 180.2 Numero EC: 234-049-6

GRADE & PURITY ≥98%

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.-(

Storage

Room temperature

Shipped In

Normal

Panoramica

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.

Specifications

Sinonimi

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.-(

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754065

Sorrisi canonici

COC1=CC=CC(=C1)CCC(=O)O

IUPAC Name

3-(3-methoxyphenyl)propanoic acid

InChIKey

BJJQJLOZWBZEGA-UHFFFAOYSA-N

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)

Isomeri SMILES

COC1=CC=CC(=C1)CCC(=O)O

WGK Germania

2

Peso molecolare

180.2

Reaxy-Rn

1874422

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

Data sources

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

Proprietà chimiche e fisiche

• Peso molecolare: 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 Ų
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10516-71-9, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey BJJQJLOZWBZEGA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.