EN1

(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

Created:2009-09-11
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of EN1

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Chemical Component Summary

Name(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)(E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
FormulaC9 H8 O4
Molecular Weight180.157
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)C(/O)=C\c1ccc(O)cc1
SMILESCACTVS3.352OC(=O)C(O)=Cc1ccc(O)cc1
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1C=C(C(=O)O)O)O
Canonical SMILESCACTVS3.352 OC(=O)\C(O)=C/c1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(ccc1/C=C(\C(=O)O)/O)O
InChIInChI1.03 InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
InChIKeyInChI1.03 GQYBCIHRWMPOOF-VMPITWQZSA-N

Related Resource References

Resource NameReference
PubChem 444783