RXK

cyclohexanecarboxylic acid

Created: 2020-10-30
Last modified:  2021-03-03

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count0
2D diagram of RXK

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Chemical Component Summary

Namecyclohexanecarboxylic acid
Systematic Name (OpenEye OEToolkits)cyclohexanecarboxylic acid
FormulaC7 H12 O2
Molecular Weight128.169
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC(=O)C1CCCCC1
SMILESOpenEye OEToolkits2.0.7C1CCC(CC1)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)C1CCCCC1
Canonical SMILESOpenEye OEToolkits2.0.7 C1CCC(CC1)C(=O)O
InChIInChI1.03 InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKeyInChI1.03 NZNMSOFKMUBTKW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7413
ChEBI CHEBI:36096
CCDC/CSD BAMXIZ, ACONIR, IPEVEF, AYUQUI, LAGCOO