CHEBI:33668 - 1,2-didehydrobenzene

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ChEBI Name 1,2-didehydrobenzene
ChEBI ID CHEBI:33668
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H4
Net Charge 0
Average Mass 76.09596
Monoisotopic Mass 76.03130
InChI InChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H
InChIKey KLYCPFXDDDMZNQ-UHFFFAOYSA-N
SMILES C1=CC#CC=C1
ChEBI Ontology
Outgoing 1,2-didehydrobenzene (CHEBI:33668) is a aryne (CHEBI:33665)
1,2-didehydrobenzene (CHEBI:33668) is a benzyne (CHEBI:33667)
Incoming 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 Sources
1,2-benzyne ChemIDplus
1,3-cyclohexadien-5-yne ChemIDplus
benzyne NIST Chemistry WebBook
o-benzyne ChemIDplus
Registry Numbers Types Sources
1071221 Beilstein Registry Number Beilstein
277764 Gmelin Registry Number Gmelin
462-80-6 CAS Registry Number NIST Chemistry WebBook
462-80-6 CAS Registry Number ChemIDplus
Last Modified
20 January 2006