YEF

4-(4-methoxyphenyl)oxane-4-carboxylic acid

Created:	2023-01-26
Last modified:	2023-02-15

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1 entries where YEF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of YEF

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Chemical Component Summary
Name	4-(4-methoxyphenyl)oxane-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-(4-methoxyphenyl)oxane-4-carboxylic acid
Formula	C₁₃ H₁₆ O₄
Molecular Weight	236.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C1(CCOCC1)c1ccc(OC)cc1
SMILES	CACTVS	3.385	COc1ccc(cc1)C2(CCOCC2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C2(CCOCC2)C(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)C2(CCOCC2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C2(CCOCC2)C(=O)O
InChI	InChI	1.06	InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKey	InChI	1.06	HUAOQQIUUYXNFN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	969802

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