loading...| Preferred Name |
benzaldehyde |
|
| Synonyms |
Benzaldehyde benzaldehyde Benzoic acid aldehyde Phenylformaldehyde Benzene carbaldehyde Benzenecarboxaldehyde Benzoic aldehyde Benzene carboxaldehyde Benzenemethylal Ethereal oil of bitter almonds Phenylmethanal Synthetic oil of bitter almond Benzanoaldehyde Artificial almond oil Benzylaldehyde Benzenecarbonal |
|
| Definitions |
An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17169 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21828928 UM-BBD_compID:c0279 PMID:16508147 PMID:18348134 MetaCyc:BENZALDEHYDE PMID:12746108 HMDB:HMDB0006115 PMID:23263855 PMID:20733068 PMID:12738275 Wikipedia:Benzaldehyde PMID:21035797 PMID:16248550 PMID:16557466 PMID:20878540 Reaxys:471223 KEGG:D02314 CAS:100-52-7 PMID:1388821 PMID:12692643 KEGG:C00193 PMID:11943806 PDBeChem:HBX PMID:15658857 PMID:15087594 KEGG:C00261 PMID:21773601 PMID:21538605 |
|
| formula |
C7H6O |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_48318 http://purl.obolibrary.org/obo/CHEBI_77118 http://purl.obolibrary.org/obo/CHEBI_62873 |
|
| has_alternative_id |
CHEBI:13875 CHEBI:22697 CHEBI:3019 |
|
| has_exact_synonym |
Benzaldehyde benzaldehyde |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Benzoic acid aldehyde Phenylformaldehyde Benzene carbaldehyde Benzenecarboxaldehyde Benzoic aldehyde Benzene carboxaldehyde Benzenemethylal Ethereal oil of bitter almonds Phenylmethanal Synthetic oil of bitter almond Benzanoaldehyde Artificial almond oil Benzylaldehyde Benzenecarbonal |
|
| has_RxCUI |
1314334 |
|
| id |
CHEBI:17169 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
|
| inchikey |
HUMNYLRZRPPJDN-UHFFFAOYSA-N |
|
| label |
benzaldehyde |
|
| mass |
106.12190 |
|
| monoisotopicmass |
106.04186 |
|
| notation |
CHEBI:17169 |
|
| prefixIRI |
CHEBI:17169 |
|
| prefLabel |
benzaldehyde |
|
| smiles |
O=Cc1ccccc1 |
|
| textual definition |
An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. |
|
| subClassOf |