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NAK

Summary
Name:AMINO-ACRYLATE
Synonyms:2-IMINIOPROPANOATE
Formula:C3 H5 N O2
Formal charge:0
Formula weight:87.077 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-iminiopropanoate
OpenEye OEToolkits1.5.02-azaniumylidenepropanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)\C(=[NH2+])C
SMILES_CANONICALCACTVS3.341CC(=[NH2+])C([O-])=O
SMILESCACTVS3.341CC(=[NH2+])C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=[NH2+])C(=O)[O-]
SMILESOpenEye OEToolkits1.5.0CC(=[NH2+])C(=O)[O-]
InChIInChI1.03InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
InChIKeyInChI1.03DUAWRLXHCUAWMK-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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