PPY

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Summary

Name:3-PHENYLPYRUVIC ACID
Formula:C9 H8 O3
Formal charge:0
Molecular weight:164.158 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-oxo-3-phenylpropanoic acid
OpenEye OEToolkits1.5.02-oxo-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(=O)O)Cc1ccccc1
SMILES_CANONICALCACTVS3.341OC(=O)C(=O)Cc1ccccc1
SMILESCACTVS3.341OC(=O)C(=O)Cc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CC(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(=O)C(=O)O
InChIInChI1.03InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKeyInChI1.03BTNMPGBKDVTSJY-UHFFFAOYSA-N