loading...| Preferred Name |
benzoic acid |
|
| Synonyms |
BENZOIC ACID benzoic acid Benzoic acid Phenylformic acid E210 Benzoesaeure acide benzoique Dracylic acid Benzenemethanoic acid Aromatic carboxylic acid Benzeneformic acid Phenylcarboxylic acid Benzenecarboxylic acid |
|
| Definitions |
A compound comprising a benzene ring core carrying a carboxylic acid substituent. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_30746 |
|
| charge |
0 |
|
| database_cross_reference |
KNApSAcK:C00000207 Reaxys:636131 PMID:17439666 LINCS:LSM-37118 KEGG:C00539 Beilstein:636131 MetaCyc:BENZOATE Drug_Central:4664 HMDB:HMDB0001870 Gmelin:2946 PDBeChem:BEZ KEGG:D00038 CAS:65-85-0 Wikipedia:Benzoic_Acid PMID:16728954 YMDB:YMDB02301 DrugBank:DB03793 PMID:18314336 KEGG:C00180 PPDB:1475 |
|
| definition |
A compound comprising a benzene ring core carrying a carboxylic acid substituent. |
|
| formula |
C7H6O2 |
|
| has exact synonym |
BENZOIC ACID benzoic acid Benzoic acid |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_64996 http://purl.obolibrary.org/obo/CHEBI_65001 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_76967 |
|
| has_alternative_id |
CHEBI:3029 CHEBI:22722 CHEBI:41051 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Phenylformic acid E210 Benzoesaeure acide benzoique Dracylic acid Benzenemethanoic acid Aromatic carboxylic acid Benzeneformic acid Phenylcarboxylic acid Benzenecarboxylic acid |
|
| id |
CHEBI:30746 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
|
| inchikey |
WPYMKLBDIGXBTP-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
benzoic acid |
|
| mass |
122.12130 |
|
| monoisotopicmass |
122.03678 |
|
| notation |
CHEBI:30746 |
|
| prefixIRI |
CHEBI:30746 |
|
| prefLabel |
benzoic acid |
|
| smiles |
OC(=O)c1ccccc1 |
|
| subClassOf |