Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(CCCO1)C(C)=O

InChIKey

InChIKey=TUQOCWFVPMGYJD-MRVPVSSYSA-N

Formula

C8H12O4

Mass

172.18

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Fatty acyl - Oxolane - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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