Chemical Component Summary

Name(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
Identifiers(E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
FormulaC11 H9 B O4 S
Molecular Weight248.063
TypeNON-POLYMER
Isomeric SMILESB(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O
InChIInChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+
InChIKeyIYRVQPJBSDCZBO-AATRIKPKSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 90680707
ChEMBL CHEMBL3286879