Structure Information
Structure

Compound Identification

SMILES

OC(C(Br)C(O)=O)C1=CC=CC=C1

InChIKey

InChIKey=PNZTVDQYHQRHKB-UHFFFAOYSA-N

Formula

C9H9BrO3

Mass

245.072

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Secondary alcohol - Bromohydrin - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Alkyl bromide - Organohalogen compound - Carbonyl group - Organobromide - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - Aromatic alcohol - Alkyl halide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

Previous Back Next