Compound Identification
SMILES
OC(=O)C(CC1=CC=C(I)C=C1)C(O)=O
InChIKey
InChIKey=SFNPFIRJKDCDGR-UHFFFAOYSA-N
Formula
C10H9IO4
Mass
320.082
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
Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides 1,3-dicarbonyl compounds Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Halobenzene - Iodobenzene - Benzenoid - 1,3-dicarbonyl compound - Aryl halide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl iodide - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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