Structure Information
Structure

Compound Identification

SMILES

O=C(CC(=O)C1=COCCC1)C1=CC=CO1

InChIKey

InChIKey=XCWNXCAVZNWEBY-UHFFFAOYSA-N

Formula

C12H12O4

Mass

220.224

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones

Direct Parent

Aryl alkyl ketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl alkyl ketone - 1,3-diketone - 1,3-dicarbonyl compound - Heteroaromatic compound - Vinylogous ester - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

External Descriptors

Not available

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