6YV

(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid

Created:2016-07-27
Last modified:  2018-02-21

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of 6YV

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Chemical Component Summary

Name(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid
FormulaC9 H9 B O4
Molecular Weight191.976
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OB(O)c1ccccc1C=CC(O)=O
SMILESOpenEye OEToolkits2.0.5B(c1ccccc1C=CC(=O)O)(O)O
Canonical SMILESCACTVS3.385 OB(O)c1ccccc1\C=C\C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 B(c1ccccc1/C=C/C(=O)O)(O)O
InChIInChI1.03 InChI=1S/C9H9BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6,13-14H,(H,11,12)/b6-5+
InChIKeyInChI1.03 OPFDGNUJQALQFL-AATRIKPKSA-N

Related Resource References

Resource NameReference
PubChem 6158001