Structure Information
Structure

Compound Identification

SMILES

CC([O-])=C(C(C)=O)C(C)=O

InChIKey

InChIKey=IZKUHUPRYVVSHM-UHFFFAOYSA-M

Formula

C7H9O3

Mass

141.147

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Alpha-branched alpha,beta-unsaturated ketones

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Alpha-branched alpha,beta-unsaturated-ketone - Vinylogous acid - Enone - Acryloyl-group - Ketone - Enolate - Organic oxide - Hydrocarbon derivative - Organic anion - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.

External Descriptors

Not available

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