2H-Pyran-2-one - ≥97%(GC) , CAS No.504-31-4

CAS: 504-31-4 Cat. No.: A136345 Formula: C₅H₄O₂ Peso molecolare: 96.09 Beilstein Registry Number: 17(5)9,288

GRADE & PURITY ≥97%(GC)

Synonyms

Pyranone | 2-Pyrone | UNII-8WW45I202V | oxidopyrylium | 5-hydroxy-2,4-pentadienoic acid delta -lactone | FT-0622198 | AS-56552 | CHEBI:37965 | SY051694 | MFCD00006639 | 2H-Pyran-2-one, technical, >=90% (GC) | AKOS016033962 | a-pyrone | EINECS 207-990-5 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Pyranone | 2-Pyrone | UNII-8WW45I202V | oxidopyrylium | 5-hydroxy-2,4-pentadienoic acid delta -lactone | FT-0622198 | AS-56552 | CHEBI:37965 | SY051694 | MFCD00006639 | 2H-Pyran-2-one, technical, >=90% (GC) | AKOS016033962 | a-pyrone | EINECS 207-990-5 |

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488184094

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184094

Sorrisi canonici

C1=CC(=O)OC=C1

IUPAC Name

pyran-2-one

InChIKey

ZPSJGADGUYYRKE-UHFFFAOYSA-N

INCHI

1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H

Isomeri SMILES

C1=CC(=O)OC=C1

WGK Germania

3

Peso molecolare

96.09

Beilstein

17(5)9,288

Reaxy-Rn

1511

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1511&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrans
      • Subclass Pyranones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrans
• Subclass: Pyranones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranones and derivatives
• Alternative Parents: Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyranone - Heteroaromatic compound - Lactone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.
• External Descriptors: a δ-lactone - a pyranose

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

Obiettivi associati (umani)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Air Sensitive
• Indice di rifrazione: 1.53
• Punto di infiammabilità (°F): 201.2 °F
• Punto di infiammabilità (°C): 94 °C
• Punto di ebollizione (°C): 207 °C
• Peso molecolare: 96.080 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.0211 Da
• Monoisotopic Mass: 96.0211 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 133.000
• 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, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 504-31-4, the molecular formula is C5H4O2, and the molecular weight is 96.09 g/mol. InChIKey ZPSJGADGUYYRKE-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.