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ethanone, 1-[3-(acetyloxy)-4-methoxyphenyl]- - 97%, high purity , CAS No.60792-88-3
Discover ethanone, 1-[3-(acetyloxy)-4-methoxyphenyl]- by Aladdin Scientific in 97% for only $1,985.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-Acetyl-2-methoxyphenyl acetate | 60792-88-3 | (5-acetyl-2-methoxyphenyl) acetate | Ethanone, 1-[3-(acetyloxy)-4-methoxyphenyl]- | 1-[3-(Acetyloxy)-4-methoxyphenyl]-ethanone | MFCD00197033 | 5-Acetyl-2-methoxyphenylacetate | SCHEMBL10830995 | DTXSID00400526 | STL576607 | AK
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenol esters Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ester - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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.
Names and Identifiers
IUPAC Name
(5-acetyl-2-methoxyphenyl) acetate
INCHI
InChI=1S/C11H12O4/c1-7(12)9-4-5-10(14-3)11(6-9)15-8(2)13/h4-6H,1-3H3
InChIKey
TWPFICFACFZUQL-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC(=C(C=C1)OC)OC(=O)C
Isomeric SMILES
CC(=O)C1=CC(=C(C=C1)OC)OC(=O)C
Molecular Weight
208.213
Reaxy-Rn
1972347
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972347&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
208.210 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
208.074 Da
Monoisotopic Mass
208.074 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
249.000
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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