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

Default Structure
ChEBI IDCHEBI:16413
ChEBI Namebut-2-yne-1,4-diol
Stars
DefinitionA butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4.
Secondary ChEBI IDsCHEBI:1028, CHEBI:11532, CHEBI:19486
Last Modified13 November 2017
DownloadsMolfile
FormulaC4H6O2
Net Charge0
Average Mass86.090
Monoisotopic Mass86.03678
SMILESOCC#CCO
InChIInChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChIKeyDLDJFQGPPSQZKI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
but-2-yne-1,4-diol (CHEBI:16413) is a butynediol (CHEBI:22970)
IUPAC Name 
but-2-yne-1,4-diol
Synonyms  Source
1,4-dihydroxy-2-butyneNIST Chemistry WebBook
1,4-dimethoxyacetyleneNIST Chemistry WebBook
2-Butyne-1,4-diolKEGG COMPOUND
bis(hydroxymethyl)acetyleneNIST Chemistry WebBook
UniProt Name  Source
2-butyne-1,4-diolUniProt
Manual XrefsDatabases
C02497KEGG COMPOUND
Registry NumbersSources
Reaxys:1071237Reaxys
CAS:110-65-6KEGG COMPOUND
CAS:110-65-6NIST Chemistry WebBook
CAS:110-65-6ChemIDplus