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3NP

Summary
Name:3-NITROPROPANOIC ACID
Formula:C3 H5 N O4
Formal charge:0
Formula weight:119.076 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-nitropropanoic acid
OpenEye OEToolkits1.5.03-nitropropanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)CCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CC[N+]([O-])=O
SMILESCACTVS3.341OC(=O)CC[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C[N+](=O)[O-])C(=O)O
SMILESOpenEye OEToolkits1.5.0C(C[N+](=O)[O-])C(=O)O
InChIInChI1.03InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKeyInChI1.03WBLZUCOIBUDNBV-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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