IO2

2-(4-phenylmethoxyphenyl)ethanoic acid

Created:	2015-10-29
Last modified:	2016-03-02

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1 entries where IO2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of IO2

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Chemical Component Summary
Name	2-(4-phenylmethoxyphenyl)ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-(4-phenylmethoxyphenyl)ethanoic acid
Formula	C₁₅ H₁₄ O₃
Molecular Weight	242.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)Cc1ccc(OCc2ccccc2)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)COc2ccc(cc2)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1ccc(OCc2ccccc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)COc2ccc(cc2)CC(=O)O
InChI	InChI	1.03	InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKey	InChI	1.03	XJHGAJLIKDAOPE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	81033
CCDC/CSD	CIDXIW

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