EN1

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

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

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1 entries where EN1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

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
Formula	C₉ H₈ O₄
Molecular Weight	180.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)C(/O)=C\c1ccc(O)cc1
SMILES	CACTVS	3.352	OC(=O)C(O)=Cc1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1C=C(C(=O)O)O)O
Canonical SMILES	CACTVS	3.352	OC(=O)\C(O)=C/c1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1/C=C(\C(=O)O)/O)O
InChI	InChI	1.03	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+
InChIKey	InChI	1.03	GQYBCIHRWMPOOF-VMPITWQZSA-N

Related Resource References

Resource Name	Reference
PubChem	444783

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