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CAH

Summary
Name:5-EXO-HYDROXYCAMPHOR
Formula:C10 H16 O2
Formal charge:0
Formula weight:168.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
OpenEye OEToolkits1.5.0(1R,3R,4R)-3-hydroxy-1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1CC2C(C)(C1(CC2O)C)C
SMILES_CANONICALCACTVS3.341CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O
SMILESCACTVS3.341CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C
SMILESOpenEye OEToolkits1.5.0CC1(C2CC(=O)C1(CC2O)C)C
InChIInChI1.03InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1
InChIKeyInChI1.03DJQYBVLXBVJHMU-PJKMHFRUSA-N

217705

PDB entries from 2024-03-27

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