1-(2,3-Dihydro-7-benzofuranyl)ethanone - ≥95% , CAS No.170730-06-0

CAS: 170730-06-0 Cat. No.: E724881 Molecular Weight: 162.18 EC Number: 873-418-1 PubChem CID: 10607073

GRADE & PURITY ≥95%

Synonyms

7-Acetyl-2,3-dihydrobenzofuran | Ethanone,1-(2,3-dihydro-7-benzofuranyl) | 1-(2,3-Dihydro-7-benzofuranyl) | 1-(2,3-dihydro-1-benzofuran-7-yl)ethanone

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

7-Acetyl-2, 3-dihydrobenzofuran | Ethanone, 1-(2, 3-dihydro-7-benzofuranyl) | 1-(2, 3-Dihydro-7-benzofuranyl) | 1-(2, 3-dihydro-1-benzofuran-7-yl)ethanone

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)C1=CC=CC2=C1OCC2
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
• InChIKey: MSFONFAIHVPZHN-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2-4H,5-6H2,1H3
• Isomeric SMILES: CC(=O)C1=CC=CC2=C1OCC2
• PubChem CID: 10607073
• Molecular Weight: 162.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Acetophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Acetophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetophenones
• Alternative Parents: Coumarans Aryl alkyl ketones Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Acetophenone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.
• 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

Chemical and Physical Properties

• Sensitivity: hot and moisture sensitive
• Molecular Weight: 162.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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