CHEBI:22731 - 3-oxo-3-phenylpropionate

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ChEBI Name 3-oxo-3-phenylpropionate
ChEBI ID CHEBI:22731
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H7O3
Net Charge -1
Average Mass 163.15008
Monoisotopic Mass 163.04007
InChI InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1
InChIKey HXUIDZOMTRMIOE-UHFFFAOYSA-M
SMILES [O-]C(=O)CC(=O)c1ccccc1
ChEBI Ontology
Outgoing 3-oxo-3-phenylpropionate (CHEBI:22731) is a oxo monocarboxylic acid anion (CHEBI:35902)
3-oxo-3-phenylpropionate (CHEBI:22731) is conjugate base of 3-oxo-3-phenylpropionic acid (CHEBI:28759)
Incoming 3-oxo-3-phenylpropionic acid (CHEBI:28759) is conjugate acid of 3-oxo-3-phenylpropionate (CHEBI:22731)
IUPAC Name
3-oxo-3-phenylpropanoate
Synonym Source
3-oxo-3-phenylpropanoate UniProt
Manual Xref Database
c0267 UM-BBD
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Registry Numbers Types Sources
102239 Gmelin Registry Number Gmelin
29285-17-4 CAS Registry Number UM-BBD
4988854 Beilstein Registry Number Beilstein
Last Modified
21 August 2015