E5X

4-(hydroxymethyl)benzoic acid

Created:	2019-10-24
Last modified:	2024-09-27

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2 entries where E5X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of E5X

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Chemical Component Summary
Name	4-(hydroxymethyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	4-(hydroxymethyl)benzoic acid
Formula	C₈ H₈ O₃
Molecular Weight	152.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CO)C(=O)O
Canonical SMILES	CACTVS	3.385	OCc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CO)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey	InChI	1.03	WWYFPDXEIFBNKE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76360
CCDC/CSD	PEBDUW

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