loading...| Preferred Name |
toluene |
|
| Synonyms |
toluene TOLUENE Toluol Toluene phenylmethane Toluen C7H8 methylbenzene |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17578 |
|
| altId |
CHEBI:15248 CHEBI:44023 CHEBI:9624 CHEBI:27022 |
|
| CASRN |
108-88-3 |
|
| DBname |
toluene |
|
| Definition |
A methylbenzene consisting of a benzene core which bears a single methyl substituent. |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_48873 http://purl.obolibrary.org/obo/CHEBI_62803 |
|
| InChI |
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
|
| InChIKey |
InChIKey=YXFVVABEGXRONW-UHFFFAOYSA-N |
|
| label |
toluene |
|
| prefixIRI |
obo2:CHEBI_17578 |
|
| prefLabel |
toluene |
|
| SMILES |
Cc1ccccc1 CC1=CC=CC=C1 |
|
| Synonym |
toluene TOLUENE Toluol Toluene phenylmethane Toluen C7H8 methylbenzene |
|
| xref |
CASRN:108-88-3 CiteXplore:11846266 ChEBI:17578 CiteXplore:16316648 CiteXplore:19825861 CiteXplore:17725881 CiteXplore:15193425 CiteXplore:11991009 NIST Chemistry WebBook:108-88-3 CiteXplore:21655021 CiteXplore:14512097 CiteXplore:19765629 CiteXplore:14605898 CiteXplore:19261054 CiteXplore:19635754 PDBeChem:MBN DrugBank:DB01900 CiteXplore:15015825 CiteXplore:19384711 PubChem Compound:1140 KEGG COMPOUND:C01455 CiteXplore:20347282 CiteXplore:21731073 CiteXplore:12237258 CiteXplore:11314682 CiteXplore:18832024 CiteXplore:12876426 CiteXplore:21430649 Beilstein:635760 CiteXplore:19969016 CiteXplore:17175136 CiteXplore:21802510 CiteXplore:12213539 CiteXplore:12784113 CiteXplore:15019953 CiteXplore:19928203 PDB:MBN CiteXplore:14559343 CiteXplore:18397809 CiteXplore:12062755 CiteXplore:11182169 PubChem Substance:46505825 CiteXplore:17145141 CiteXplore:19429395 Wikipedia:Toluene Gmelin:2456 CiteXplore:15567510 UM-BBD:c0114 ChEMBL:116791 CiteXplore:15542760 Reaxys:635760 CiteXplore:16348226 ChemSpider:1108 CiteXplore:15119846 CiteXplore:17497535 CiteXplore:20837561 CiteXplore:15695158 CiteXplore:21840036 CiteXplore:15796064 CiteXplore:16601996 |
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| subClassOf |