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CHEBI:167169 - hexacyclonate

ChEBI IDCHEBI:167169
ChEBI Namehexacyclonate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of hexacyclonic acid, arising from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified7 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaC9H15O3
Net Charge-1
Average Mass171.216
Monoisotopic Mass171.10267
SMILESO=C([O-])CC1(CO)CCCCC1
InChIInChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)/p-1
InChIKeyWMJPAYUKEVEBCN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
hexacyclonate (CHEBI:167169) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
hexacyclonate (CHEBI:167169) is conjugate base of hexacyclonic acid (CHEBI:167168)
Incoming Relation(s)
sodium hexacyclonate (CHEBI:134805) has part hexacyclonate (CHEBI:167169)
hexacyclonic acid (CHEBI:167168) is conjugate acid of hexacyclonate (CHEBI:167169)
IUPAC Name 
[1-(hydroxymethyl)cyclohexyl]acetate
Synonym  Source
hexacyclonic acid(1−)ChEBI
Citations