MPD

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Summary

Name:(4S)-2-METHYL-2,4-PENTANEDIOL
Formula:C6 H14 O2
Formal charge:0
Molecular weight:118.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(4S)-2-methylpentane-2,4-diol
OpenEye OEToolkits1.6.1(4S)-2-methylpentane-2,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02OC(C)CC(O)(C)C
SMILES_CANONICALCACTVS3.352C[C@H](O)CC(C)(C)O
SMILESCACTVS3.352C[CH](O)CC(C)(C)O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H](CC(C)(C)O)O
SMILESOpenEye OEToolkits1.7.0CC(CC(C)(C)O)O
InChIInChI1.03InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKeyInChI1.03SVTBMSDMJJWYQN-YFKPBYRVSA-N