Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1C1CCC(=O)OC1=O

InChIKey

InChIKey=QHOCTVQNFRRMPO-UHFFFAOYSA-N

Formula

C12H12O3

Mass

204.225

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Toluenes Oxanes Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Toluene - Delta_valerolactone - Delta valerolactone - Benzenoid - Oxane - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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