CHEBI:28063 - o-xylene

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ChEBI Name o-xylene
ChEBI ID CHEBI:28063
ChEBI ASCII Name o-xylene
Definition A xylene substituted by methyl groups at positions 1 and 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44697, CHEBI:10611, CHEBI:25623
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Formula C8H10
Net Charge 0
Average Mass 106.16500
Monoisotopic Mass 106.07825
InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N
SMILES Cc1ccccc1C
ChEBI Ontology
Outgoing o-xylene (CHEBI:28063) is a xylene (CHEBI:27338)
Incoming 3,4-xylenol (CHEBI:39839) has parent hydride o-xylene (CHEBI:28063)
IUPAC Name
1,2-xylene
Synonyms Sources
1,2-dimethylbenzene NIST Chemistry WebBook
1,2-Dimethylbenzol ChEBI
2-xylene ChemIDplus
3,4-xylene NIST Chemistry WebBook
o-Dimethylbenzene KEGG COMPOUND
o-Methyltoluene KEGG COMPOUND
o-Xylene KEGG COMPOUND
o-Xylol ChemIDplus
ORTHO-XYLENE PDBeChem
ortho-xylene MetaCyc
Manual Xrefs Databases
6967 ChemSpider
C00056020 KNApSAcK
c0248 UM-BBD
C07212 KEGG COMPOUND
CPD-1421 MetaCyc
DB03029 DrugBank
FDB005819 FooDB
HMDB0059851 HMDB
O-Xylene Wikipedia
OXE PDBeChem
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Registry Numbers Types Sources
1815558 Reaxys Registry Number Reaxys
67796 Gmelin Registry Number Gmelin
95-47-6 CAS Registry Number NIST Chemistry WebBook
95-47-6 CAS Registry Number ChemIDplus
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Last Modified
11 February 2021