2-acetil-7-idrossibenzofurano - ≥98%(GC) , CAS No.40020-87-9

CAS: 40020-87-9 Cat. No.: A164473 Formula: C₁₀H₈O₃ Peso molecolare: 176.17

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL1896215 | 1-(7-Hydroxybenzofuran-2-yl)ethan-1-one | 1-(7-hydroxy-benzofuran-2-yl)-ethanone | 1-(7-hydroxybenzofuran-2-yl)ethanone | D73244 | AC-27841 | AKOS006229998 | 2-Acetyl-7-hydroxycoumarone | 1-(7-Hydroxy-1-benzofuran-2-yl)ethanone, AldrichCP

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

SCHEMBL1896215 | 1-(7-Hydroxybenzofuran-2-yl)ethan-1-one | 1-(7-hydroxy-benzofuran-2-yl)-ethanone | 1-(7-hydroxybenzofuran-2-yl)ethanone | D73244 | AC-27841 | AKOS006229998 | 2-Acetyl-7-hydroxycoumarone | 1-(7-Hydroxy-1-benzofuran-2-yl)ethanone, AldrichCP

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

Sorrisi canonici

CC(=O)C1=CC2=C(O1)C(=CC=C2)O

IUPAC Name

1-(7-hydroxy-1-benzofuran-2-yl)ethanone

InChIKey

HRIVIHCUSKDPNK-UHFFFAOYSA-N

INCHI

1S/C10H8O3/c1-6(11)9-5-7-3-2-4-8(12)10(7)13-9/h2-5,12H,1H3

Isomeri SMILES

CC(=O)C1=CC2=C(O1)C(=CC=C2)O

Peso molecolare

176.17

Reaxy-Rn

1241451

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1241451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 166 °C
• Peso molecolare: 176.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.047 Da
• Monoisotopic Mass: 176.047 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• 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

How should this product be stored?

Store at room temperature.

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 40020-87-9, the molecular formula is C10H8O3, and the molecular weight is 176.17 g/mol. InChIKey HRIVIHCUSKDPNK-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.