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

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ChEBI Name isopropyl 3-hydroxybut-2-enoate ChEBI ID CHEBI:38868 Definition An isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H12O3 Net Charge 0 Average Mass 144.16838 Monoisotopic Mass 144.07864 InChI InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3 InChIKey ZNFAKZVVPSSMDA-UHFFFAOYSA-N SMILES CC(C)OC(=O)C=C(C)O ChEBI Ontology Outgoing 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 propetamphos (CHEBI:38864) has functional parent isopropyl 3-hydroxybut-2-enoate (CHEBI:38868) IUPAC Name propan-2-yl 3-hydroxybut-2-enoate Registry Number Type Source 6122750 Beilstein Registry Number Beilstein Last Modified 09 March 2018