KNA

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Summary

Name:nonanoic acid
Formula:C9 H18 O2
Formal charge:0
Molecular weight:158.238 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01nonanoic acid
OpenEye OEToolkits1.7.2nonanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCCCCCC
InChIInChI1.03InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyInChI1.03FBUKVWPVBMHYJY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCC(O)=O
SMILESCACTVS3.370CCCCCCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCCCC(=O)O
SMILESOpenEye OEToolkits1.7.2CCCCCCCCC(=O)O
171916
PDB entries from 2020-12-02