OID

10-(1H-imidazol-1-yl)decanoic acid

Created: 2009-03-27
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count39
Aromatic Bond Count5
2D diagram of OID

Chemical Component Summary

Name10-(1H-imidazol-1-yl)decanoic acid
Synonyms10-imidazolyl-decanoic acid
Systematic Name (OpenEye OEToolkits)10-imidazol-1-yldecanoic acid
FormulaC13 H22 N2 O2
Molecular Weight238.326
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCCCCCCCCn1ccnc1
SMILESCACTVS3.341OC(=O)CCCCCCCCCn1ccnc1
SMILESOpenEye OEToolkits1.5.0c1cn(cn1)CCCCCCCCCC(=O)O
Canonical SMILESCACTVS3.341 OC(=O)CCCCCCCCCn1ccnc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cn(cn1)CCCCCCCCCC(=O)O
InChIInChI1.03 InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
InChIKeyInChI1.03 DOJPUPKORVKCJK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12803316