Compound Identification
SMILES
CCOC(=O)C(C(C)C1=CC(F)=C(F)C=C1)C(O)=O
InChIKey
InChIKey=QAEQYVRUUMTQRJ-UHFFFAOYSA-N
Formula
C13H14F2O4
Mass
272.248
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
Fluorobenzenes Fatty acid esters Dicarboxylic acids and derivatives Aryl fluorides 1,3-dicarbonyl compounds Carboxylic acid esters Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - 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