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BU9

Summary
Name:Meso-2,3-Butanediol
Formula:C4 H10 O2
Formal charge:0
Formula weight:90.121 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3S)-butane-2,3-diol
OpenEye OEToolkits1.9.2(2S,3R)-butane-2,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C)C(O)C
InChIInChI1.03InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
InChIKeyInChI1.03OWBTYPJTUOEWEK-ZXZARUISSA-N
SMILES_CANONICALCACTVS3.385C[C@H](O)[C@@H](C)O
SMILESCACTVS3.385C[CH](O)[CH](C)O
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H]([C@H](C)O)O
SMILESOpenEye OEToolkits1.9.2CC(C(C)O)O

225158

PDB entries from 2024-09-18

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