XGK

(E)-4-(4-hydroxystyryl)benzoic acid

Created:	2023-11-01
Last modified:	2024-03-20

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1 entries where XGK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of XGK

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Chemical Component Summary
Name	(E)-4-(4-hydroxystyryl)benzoic acid
Synonyms	4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[(~{E})-2-(4-hydroxyphenyl)ethenyl]benzoic acid
Formula	C₁₅ H₁₂ O₃
Molecular Weight	240.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccc(C=Cc2ccc(O)cc2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=Cc2ccc(cc2)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(/C=C/c2ccc(O)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1/C=C/c2ccc(cc2)O)C(=O)O
InChI	InChI	1.06	InChI=1S/C15H12O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H,(H,17,18)
InChIKey	InChI	1.06	OCQXHCJFSAZJGC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5376980
ChEMBL	CHEMBL4087362

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