4RG

3-(phenoxymethyl)benzoic acid

Created:	2011-07-27
Last modified:	2011-07-27

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2 entries where 4RG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 4RG

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Chemical Component Summary
Name	3-(phenoxymethyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(phenoxymethyl)benzoic acid
Formula	C₁₄ H₁₂ O₃
Molecular Weight	228.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cccc(c1)COc2ccccc2
SMILES	CACTVS	3.370	OC(=O)c1cccc(COc2ccccc2)c1
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)OCc2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1cccc(COc2ccccc2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)OCc2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12O3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16)
InChIKey	InChI	1.03	URLYREZIPSJJQU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3729884

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