6HY

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Summary

Name:4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid
Formula:C9 H9 N O4
Formal charge:0
Molecular weight:195.172 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.44-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)
InChIKeyInChI1.03OMAJIMAYOJBLJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCC(=O)C1=CNC(=O)C=C1
SMILESCACTVS3.385OC(=O)CCC(=O)C1=CNC(=O)C=C1
SMILES_CANONICALOpenEye OEToolkits2.0.4C1=CC(=O)NC=C1C(=O)CCC(=O)O
SMILESOpenEye OEToolkits2.0.4C1=CC(=O)NC=C1C(=O)CCC(=O)O
167327
PDB entries from 2020-08-05