Compound Identification
SMILES
CC1=CC=C(C=C1)[C@@H](O)[C@H]1COCCC1=O
InChIKey
InChIKey=MPGDTPSRKQGPDQ-WCQYABFASA-N
Formula
C13H16O3
Mass
220.268
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Oxanes Secondary alcohols Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aromatic alcohols Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Oxane - Ketone - Secondary alcohol - Cyclic ketone - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Aldehyde - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available