IPM

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Summary

Name:3-ISOPROPYLMALIC ACID
Formula:C7 H12 O5
Formal charge:0
Molecular weight:176.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S)-2-hydroxy-3-(1-methylethyl)butanedioic acid
OpenEye OEToolkits1.5.0(2R,3S)-2-hydroxy-3-propan-2-yl-butanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)C(C(=O)O)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O
SMILESCACTVS3.341CC(C)[CH]([CH](O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CC(C)C(C(C(=O)O)O)C(=O)O
InChIInChI1.03InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1
InChIKeyInChI1.03RNQHMTFBUSSBJQ-CRCLSJGQSA-N