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2-Acetyl-7-methoxybenzofuran - 98%, high purity , CAS No.43071-52-9
Basic Description
Synonyms
2-Acetyl-7-methoxybenzofuran | 43071-52-9 | 1-(7-methoxybenzofuran-2-yl)ethanone | 1-(7-Methoxy-1-benzofuran-2-yl)ethanone | Ethanone, 1-(7-methoxy-2-benzofuranyl)- | 2-acetyl-7-methoxybenzo[b]furan | 7-Methoxy-2-benzofuranyl methyl ketone | 1-(7-Methoxybenzofuran-2-yl
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzofurans
Alternative Parents
Aryl alkyl ketones Anisoles Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Furan - Heteroaromatic compound - Ketone - Ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488183316
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183316
IUPAC Name
1-(7-methoxy-1-benzofuran-2-yl)ethanone
INCHI
InChI=1S/C11H10O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-6H,1-2H3
InChIKey
MUUMFANQVPWPFY-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC2=C(O1)C(=CC=C2)OC
Isomeric SMILES
CC(=O)C1=CC2=C(O1)C(=CC=C2)OC
Molecular Weight
190.2
Reaxy-Rn
156263
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156263&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
180 °C/15 mmHg
Melt Point(°C)
92-96°C
Molecular Weight
190.190 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
190.063 Da
Monoisotopic Mass
190.063 Da
Topological Polar Surface Area
39.400 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
227.000
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
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