Compound Identification
SMILES
CN1CCOB(OCC1)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=HUJBONBBPYPLTB-UHFFFAOYSA-N
Formula
C12H16BNO4
Mass
249.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Boronic acid esters Trialkylamines Amino acids Oxacyclic compounds Organic metalloid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Boronic acid ester - Amino acid or derivatives - Amino acid - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available