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SGK

Summary
Name:2-(pyridin-2-ylmethylamino)ethanoic acid
Formula:C8 H10 N2 O2
Formal charge:0
Formula weight:166.177 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(pyridin-2-ylmethylamino)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
InChIKeyInChI1.03MDMCWJVDDJDEGI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CNCc1ccccn1
SMILESCACTVS3.385OC(=O)CNCc1ccccn1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)CNCC(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)CNCC(=O)O

222926

數據於2024-07-24公開中

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