61M

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Summary

Name:3-(2-aminophenyl)-3-oxopropanoic acid
Synonyms:2-aminobenzoylacetate
Formula:C9 H9 N O3
Formal charge:0
Molecular weight:179.173 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(2-aminophenyl)-3-oxopropanoic acid
OpenEye OEToolkits2.0.43-(2-aminophenyl)-3-oxidanylidene-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(O)=O)C(c1ccccc1N)=O
InChIInChI1.03InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)
InChIKeyInChI1.03POAXUNDIOGWQOC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccccc1C(=O)CC(O)=O
SMILESCACTVS3.385Nc1ccccc1C(=O)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(c(c1)C(=O)CC(=O)O)N
SMILESOpenEye OEToolkits2.0.4c1ccc(c(c1)C(=O)CC(=O)O)N