Compound Identification
SMILES
CC(=O)C(=CC1=CC=C(Cl)C=C1)C(C)=O
InChIKey
InChIKey=OIQVUABIINFFPT-UHFFFAOYSA-N
Formula
C12H11ClO2
Mass
222.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Chlorobenzenes Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Ketones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available