UKE

5-methoxy-1,3-benzoxazole-2-carboxylic acid

Created:2021-02-26
Last modified:  2021-06-30

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count10
2D diagram of UKE

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Chemical Component Summary

Name5-methoxy-1,3-benzoxazole-2-carboxylic acid
Synonyms5-Methoxybenzo[d]oxazole-2-carboxylic acid; 53408299
Systematic Name (OpenEye OEToolkits)5-methoxy-1,3-benzoxazole-2-carboxylic acid
FormulaC9 H7 N O4
Molecular Weight193.156
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc2oc(nc2c1)C(O)=O
SMILESOpenEye OEToolkits2.0.7COc1ccc2c(c1)nc(o2)C(=O)O
Canonical SMILESCACTVS3.385 COc1ccc2oc(nc2c1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc2c(c1)nc(o2)C(=O)O
InChIInChI1.03 InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyInChI1.03 SNQUKJWKYRHONV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53408299