Chroman-3-one - ≥95% , CAS No.19090-04-1

CAS: 19090-04-1 Cat. No.: C191802 Formule: C₉H₈O₂ Poids moléculaire: 148.16 Numéro CE: 860-454-8

QUALITÉ & PURETÉ ≥95%

Synonyms

A813455 | FT-0652586 | MFCD09996937 | SCHEMBL11075399 | 4H-chromen-3-one | 2H-chromen-3(4H)-one | 2H-Chromen-3-ol, AldrichCPR | 3-CHROMANONE | 2H-1-Benzopyran-3(4H)-one | SHHLMGCHMMCOOS-UHFFFAOYSA-N | 3,4-dihydro-2H-1-benzopyran-3-one | AKOS015915214 | DS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

A813455 | FT-0652586 | MFCD09996937 | SCHEMBL11075399 | 4H-chromen-3-one | 2H-chromen-3(4H)-one | 2H-Chromen-3-ol, AldrichCPR | 3-CHROMANONE | 2H-1-Benzopyran-3(4H)-one | SHHLMGCHMMCOOS-UHFFFAOYSA-N | 3,4-dihydro-2H-1-benzopyran-3-one | AKOS015915214 | DS

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1C(=O)COC2=CC=CC=C21

IUPAC Name

4H-chromen-3-one

InChIKey

SHHLMGCHMMCOOS-UHFFFAOYSA-N

INCHI

1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2

Isomères SMILES

C1C(=O)COC2=CC=CC=C21

Poids moléculaire

148.16

Reaxy-Rn

125272

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Benzenoids Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Benzenoid - Cyclic ketone - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 148.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 19090-04-1, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey SHHLMGCHMMCOOS-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.