KWB

5-cyclohexyl-2-hydroxybenzoate

Created:2015-02-12
Last modified:  2015-05-13

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Chemical Details

Formal Charge-1
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count6
2D diagram of KWB

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Chemical Component Summary

Name5-cyclohexyl-2-hydroxybenzoate
Systematic Name (OpenEye OEToolkits)5-cyclohexyl-2-oxidanyl-benzoate
FormulaC13 H15 O3
Molecular Weight219.256
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-]C(=O)c1cc(ccc1O)C2CCCCC2
SMILESCACTVS3.385Oc1ccc(cc1C([O-])=O)C2CCCCC2
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
Canonical SMILESCACTVS3.385 Oc1ccc(cc1C([O-])=O)C2CCCCC2
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
InChIInChI1.03 InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1
InChIKeyInChI1.03 GZEPXNUXMPYSOQ-UHFFFAOYSA-M

Related Resource References

Resource NameReference
PubChem 40546119, 54750023