U4J

3-(4-methoxyphenyl)benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where U4J 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 U4J

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Chemical Component Summary
Name	3-(4-methoxyphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(4-methoxyphenyl)benzoic acid
Formula	C₁₄ H₁₂ O₃
Molecular Weight	228.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1)c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey	InChI	1.03	VWDMBLJBLIUXFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1307667
ChEMBL	CHEMBL4073646

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