HBS

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Summary

Name:S,3-HYDROXYBUTAN-2-ONE
Formula:C4 H8 O2
Formal charge:0
Molecular weight:88.105 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(3S)-3-hydroxybutan-2-one
OpenEye OEToolkits1.6.1(3S)-3-hydroxybutan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(C)C(O)C
SMILES_CANONICALCACTVS3.352C[C@H](O)C(C)=O
SMILESCACTVS3.352C[CH](O)C(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H](C(=O)C)O
SMILESOpenEye OEToolkits1.7.0CC(C(=O)C)O
InChIInChI1.03InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
InChIKeyInChI1.03ROWKJAVDOGWPAT-VKHMYHEASA-N
169117
PDB entries from 2020-09-23