Compound Identification
SMILES
CC(=O)C(Cl)=CC1=CC=CC=C1
InChIKey
InChIKey=XHVFFQBYESFJLP-UHFFFAOYSA-N
Formula
C10H9ClO
Mass
180.63
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
Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Alpha-chloroketones Acryloyl compounds Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Chloroalkene - Haloalkene - Vinyl chloride - Vinyl halide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organooxygen compound - Organic oxide - Carbonyl group - 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