RXK

cyclohexanecarboxylic acid

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

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1 entries where RXK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	0

2D diagram of RXK

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Chemical Component Summary
Name	cyclohexanecarboxylic acid
Systematic Name (OpenEye OEToolkits)	cyclohexanecarboxylic acid
Formula	C₇ H₁₂ O₂
Molecular Weight	128.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C1CCCCC1
SMILES	OpenEye OEToolkits	2.0.7	C1CCC(CC1)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C1CCCCC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCC(CC1)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey	InChI	1.03	NZNMSOFKMUBTKW-UHFFFAOYSA-N

Related Resource References

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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.