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3-oxo-3-phenylpropanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3171

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₉H₇O₃

charge

-1

mass

163.04007

reference

InChIKey

HXUIDZOMTRMIOE-UHFFFAOYSA-M

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

SMILES

O=C([O-])CC(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:22731 chebi:22731	3-oxo-3-phenylpropanoate 3-oxo-3-phenylpropionate
kegg.compound:C07114 keggC:C07114	3-Oxo-3-phenylpropanoate 3-Oxo-3-phenylpropionate 3-Oxo-3-phenylpropionic acid Benzoylacetate
metacyc.compound:BENZOYL-ACETATE metacycM:BENZOYL-ACETATE	3-oxo-3-phenylpropanoate benzoyl-acetate
CHEBI:28759 chebi:28759	3-oxo-3-phenylpropionic acid 3-keto-3-phenylpropionic acid 3-oxo-3-phenylpropanoic acid benzoylacetic acid
envipath:...433ddc0ce121 envipathM:...433ddc0ce121	Benzoyl acetate
seed.compound:cpd04386 seedM:cpd04386	Benzoyl acetate 3-Oxo-3-phenylpropanoate 3-Oxo-3-phenylpropionate 3-Oxo-3-phenylpropionic acid 3-oxo-3-phenylpropanoate Benzoylacetate benzoyl-acetate
envipath:...28b10248a4c0 envipathM:...28b10248a4c0	compound 39018
chebi:3036 keggC:M_C07114 seedM:M_cpd04386	secondary/obsolete/fantasy identifier