JRY

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Summary

Name:hexylcarbamic acid
Formula:C7 H15 N O2
Formal charge:0
Molecular weight:145.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01hexylcarbamic acid
OpenEye OEToolkits2.0.6hexylcarbamic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(NCCCCCC)O
InChIInChI1.03InChI=1S/C7H15NO2/c1-2-3-4-5-6-8-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyInChI1.03YAQPZDICKJDHTR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCNC(O)=O
SMILESCACTVS3.385CCCCCCNC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCNC(=O)O
SMILESOpenEye OEToolkits2.0.6CCCCCCNC(=O)O
171313
PDB entries from 2020-11-18