4-Methoxymandelic acid - ≥98%(HPLC) , CAS No.10502-44-0

CAS: 10502-44-0 Cat. No.: M137967 分子式: CH₃OC₆H₄CH(OH)CO₂H 分子量: 182.17 EC番号: 234-031-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-Methoxymandelic acid, 98% | FT-0618942 | FT-0687280 | Z788000802 | SY017551 | LOMEFLOXACIN HYDROCHLORIDE [USAN] | AS-12062 | FD1310 | 2-hydroxy-2-(4-methoxyphenyl)acetic acid | EN300-1696253 | MFCD00754498 | MFCD00798434 | M2278 | DL-4-METHOXYMANDELIC A

Storage

Room temperature

Shipped In

Normal

概要

Chiral separation of the enantiomers of 4-methoxymandelic acid has been reported by a new liquid chromatographic method. The mechanism of veratryl alcohol-mediated oxidation of 4-methoxymandelic acid by lignin peroxidase has been studied by kinetic methods.

Specifications

同義語

4-Methoxymandelic acid, 98% | FT-0618942 | FT-0687280 | Z788000802 | SY017551 | LOMEFLOXACIN HYDROCHLORIDE [USAN] | AS-12062 | FD1310 | 2-hydroxy-2-(4-methoxyphenyl)acetic acid | EN300-1696253 | MFCD00754498 | MFCD00798434 | M2278 | DL-4-METHOXYMANDELIC A

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488187475

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187475

カノニカル・スマイル

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

IUPAC Name

2-hydroxy-2-(4-methoxyphenyl)acetic acid

InChIKey

ITECRQOOEQWFPE-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)

異性体SMILES

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

WGKドイツ

3

分子量

182.17

Reaxy-Rn

2212169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water
• 融点（°C）: 107 °C
• 分子量: 182.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 10502-44-0, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey ITECRQOOEQWFPE-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.