CAX

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Summary

Name:(2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE
Synonyms:(2S,4S)-ALPHA-CAMPHOLINIC ACID
Formula:C10 H18 O3
Formal charge:0
Molecular weight:186.248 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone
OpenEye OEToolkits1.5.0(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethyl-cyclopentan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(C)C(C)(C)C(CC(O)O)C1
SMILES_CANONICALCACTVS3.341C[C@@H]1C(=O)C[C@@H](CC(O)O)C1(C)C
SMILESCACTVS3.341C[CH]1C(=O)C[CH](CC(O)O)C1(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O
SMILESOpenEye OEToolkits1.5.0CC1C(=O)CC(C1(C)C)CC(O)O
InChIInChI1.03InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyInChI1.03KAXFPJKKGITBPU-RQJHMYQMSA-N
167518
PDB entries from 2020-08-12