7-Hydroxy-4-phenylcoumarin - ≥97% , CAS No.2555-30-8

CAS: 2555-30-8 Cat. No.: H169070 Formula: C₁₅H₁₀O₃ Peso molecolare: 238.24

GRADE & PURITY ≥97%

Synonyms

R-242 | 7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phenylchromen-2-one | Coumarin derivative, 3c | PD119515 | Hydroxy-7, phenyl-4-coumarine | SCHEMBL1042560 | STK395218 | Phenol, 4,4'-(1-methylethylidene)bis- | A817900 | L0487H6Q0H | 7-Hydroxy-4-pheny

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

R-242 | 7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phenylchromen-2-one | Coumarin derivative, 3c | PD119515 | Hydroxy-7, phenyl-4-coumarine | SCHEMBL1042560 | STK395218 | Phenol, 4,4'-(1-methylethylidene)bis- | A817900 | L0487H6Q0H | 7-Hydroxy-4-pheny

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504763692

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763692

Sorrisi canonici

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)O

IUPAC Name

7-hydroxy-4-phenylchromen-2-one

InChIKey

IVJMJRRORVMRJJ-UHFFFAOYSA-N

INCHI

1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)O

WGK Germania

3

Peso molecolare

238.24

Reaxy-Rn

183501

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=183501&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Neoflavonoids
      • Subclass Neoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Neoflavonoids
• Subclass: Neoflavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavones
• Alternative Parents: 7-hydroxycoumarins 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylcoumarin - 7-hydroxycoumarin - Hydroxycoumarin - Coumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 248-252 °C
• Peso molecolare: 238.240 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.063 Da
• Monoisotopic Mass: 238.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 355.000
• 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 ≥97% 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 2555-30-8, the molecular formula is C15H10O3, and the molecular weight is 238.24 g/mol. InChIKey IVJMJRRORVMRJJ-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.