Phenylpyruvic acid - Moligand™,≥98% , CAS No.156-06-9

CAS: 156-06-9 Cat. No.: P107007 Formula: C₉H₈O₃ Peso molecolare: 164.16 Beilstein Registry Number: 2207312 Numero EC: 205-847-1 PubChem CID: 997

GRADE & PURITY Moligand™, ≥98%

Synonyms

α-Keto-DL-phenylalanine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Usually used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase.

Specifications

Sinonimi

α-Keto-DL-phenylalanine

Specifiche e purezza

Moligand™,≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488179586

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179586

Sorrisi canonici

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

IUPAC Name

2-oxo-3-phenylpropanoic acid

InChIKey

BTNMPGBKDVTSJY-UHFFFAOYSA-N

INCHI

1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)

Isomeri SMILES

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

WGK Germania

3

PubChem CID

997

Peso molecolare

164.16

Beilstein

2207312

Reaxy-Rn

2207312

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpyruvic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpyruvic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyruvic acid derivatives
• Alternative Parents: Phenylpropanoic acids Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpyruvate - 3-phenylpropanoic-acid - Keto acid - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
• External Descriptors: 2-oxo monocarboxylic acid

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

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Obiettivi associati (non umani)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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Discover Target: Slc22a6

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water, alkanes, alcohols, ether, acetone, etc.
• Sensibilità: Light & Air & Heat Sensitive & Hygroscopic
• Punto di infiammabilità (°C): 148.89℃
• Punto di ebollizione (°C): 299.1°C at 760 mmHg
• Punto di fusione (°C): 150-154°C
• Peso molecolare: 164.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 180.000
• 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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 156-06-9, the molecular formula is C9H8O3, and the molecular weight is 164.16 g/mol. InChIKey BTNMPGBKDVTSJY-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.