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CHEBI:38868 - isopropyl 3-hydroxybut-2-enoate

ChEBI IDCHEBI:38868
ChEBI Nameisopropyl 3-hydroxybut-2-enoate
Stars
DefinitionAn isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol.
Last Modified9 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCC(O)=CC(=O)OC(C)C
InChIInChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3
InChIKeyZNFAKZVVPSSMDA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isopropyl 3-hydroxybut-2-enoate (CHEBI:38868) has functional parent 3-hydroxybut-2-enoic acid (CHEBI:38871)
isopropyl 3-hydroxybut-2-enoate (CHEBI:38868) has functional parent propan-2-ol (CHEBI:17824)
isopropyl 3-hydroxybut-2-enoate (CHEBI:38868) is a isopropyl ester (CHEBI:35725)
Incoming Relation(s)
propetamphos (CHEBI:38864) has functional parent isopropyl 3-hydroxybut-2-enoate (CHEBI:38868)
IUPAC Name 
propan-2-yl 3-hydroxybut-2-enoate
Registry NumbersSources
Beilstein:6122750Beilstein