Compound Identification
SMILES
CC(=O)C(O)(C1=CC=CC=C1)C(C)(C)C(O)=O
InChIKey
InChIKey=HYXKAHIRBCGZNQ-UHFFFAOYSA-N
Formula
C13H16O4
Mass
236.267
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylpropanes Gamma-keto acids and derivatives Acyloins Tertiary alcohols Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenylpropane - Gamma-keto acid - Acyloin - Monocyclic benzene moiety - Benzenoid - Keto acid - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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