W4U

1-(4-chlorophenyl)cyclopentane-1-carboxylic acid

Created:2023-09-25
Last modified:  2025-01-15

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6
2D diagram of W4U

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Chemical Component Summary

Name1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
FormulaC12 H13 Cl O2
Molecular Weight224.683
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC(=O)C1(CCCC1)c2ccc(Cl)cc2
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C2(CCCC2)C(=O)O)Cl
Canonical SMILESCACTVS3.385 OC(=O)C1(CCCC1)c2ccc(Cl)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1C2(CCCC2)C(=O)O)Cl
InChIInChI1.06 InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKeyInChI1.06 QJNFJEMGWIQMJT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 97447