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CHEBI:33668 - 1,2-didehydrobenzene

ChEBI IDCHEBI:33668
ChEBI Name1,2-didehydrobenzene
Stars
Last Modified20 January 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H4
Net Charge0
Average Mass76.098
Monoisotopic Mass76.03130
SMILESc1ccccc#1
InChIInChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H
InChIKeyKLYCPFXDDDMZNQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-didehydrobenzene (CHEBI:33668) is a aryne (CHEBI:33665)
1,2-didehydrobenzene (CHEBI:33668) is a benzyne (CHEBI:33667)
Incoming Relation(s)
1-methoxycyclohexa-1,3-dien-5-yne (CHEBI:33826) has parent hydride 1,2-didehydrobenzene (CHEBI:33668)
2-methoxycyclohexa-1,3-dien-5-yne (CHEBI:33831) has parent hydride 1,2-didehydrobenzene (CHEBI:33668)
IUPAC Names 
1,2-didehydrobenzene
cyclohexa-1,3-dien-5-yne
Synonyms  Source
benzyneNIST Chemistry WebBook
1,3-cyclohexadien-5-yneChemIDplus
o-benzyneChemIDplus
1,2-benzyneChemIDplus
Registry NumbersSources
Beilstein:1071221Beilstein
Gmelin:277764Gmelin
CAS:462-80-6ChemIDplus
CAS:462-80-6NIST Chemistry WebBook