CHEBI:16413 - but-2-yne-1,4-diol

Main ChEBI Ontology Automatic Xrefs
ChEBI Name but-2-yne-1,4-diol
ChEBI ID CHEBI:16413
Definition A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11532, CHEBI:1028, CHEBI:19486
Supplier Information
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Formula C4H6O2
Net Charge 0
Average Mass 86.08924
InChI InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChIKey DLDJFQGPPSQZKI-UHFFFAOYSA-N
SMILES OCC#CCO
ChEBI Ontology
Outgoing but-2-yne-1,4-diol (CHEBI:16413) is a butynediol (CHEBI:22970)
IUPAC Name
but-2-yne-1,4-diol
Synonyms Sources
1,4-dihydroxy-2-butyne NIST Chemistry WebBook
1,4-dimethoxyacetylene NIST Chemistry WebBook
2-Butyne-1,4-diol KEGG COMPOUND
bis(hydroxymethyl)acetylene NIST Chemistry WebBook
Database Link Database
C02497 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1071237 Reaxys Registry Number Reaxys
110-65-6 CAS Registry Number ChemIDplus
110-65-6 CAS Registry Number NIST Chemistry WebBook
Last Modified
13 April 2015