loading...| Preferred Name |
toluene |
|
| Synonyms |
TOLUENE Toluene toluene methylbenzene phenylmethane Toluen Toluol |
|
| Definitions |
The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17578 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19261054 PMID:21430649 PMID:11846266 Wikipedia:Toluene PMID:16601996 PMID:11314682 PMID:19765629 PMID:14559343 PMID:21840036 PMID:17725881 PMID:12237258 PMID:18397809 PMID:21802510 KEGG:C01455 PMID:14605898 PMID:12062755 UM-BBD_compID:c0114 PMID:19429395 PMID:15015825 PMID:11991009 PMID:21731073 PMID:19969016 PMID:12784113 PMID:21655021 PMID:18832024 DrugBank:DB01900 Gmelin:2456 PMID:19384711 PMID:12876426 PMID:15019953 Reaxys:635760 CAS:108-88-3 PMID:14512097 PMID:19825861 PMID:16348226 PMID:15796064 PMID:15567510 PMID:19928203 PMID:15193425 PMID:11182169 PMID:15542760 PMID:19635754 PMID:15119846 PMID:20347282 PMID:17497535 PMID:20837561 PMID:15695158 PMID:16316648 PDBeChem:MBN PMID:17175136 PMID:17145141 PMID:12213539 Beilstein:635760 |
|
| definition |
The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. |
|
| formula |
C7H8 |
|
| has exact synonym |
TOLUENE Toluene toluene |
|
| has related synonym |
methylbenzene phenylmethane Toluen Toluol |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_48873 http://purl.obolibrary.org/obo/CHEBI_62803 |
|
| has_alternative_id |
CHEBI:27022 CHEBI:15248 CHEBI:44023 CHEBI:9624 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:17578 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
|
| inchikey |
YXFVVABEGXRONW-UHFFFAOYSA-N |
|
| label |
toluene |
|
| mass |
92.13842 |
|
| monoisotopicmass |
92.06260 |
|
| notation |
CHEBI:17578 |
|
| prefLabel |
toluene |
|
| smiles |
Cc1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_27024 http://purl.obolibrary.org/obo/CHEBI_134179 |