EAJ

3-(2-methoxyphenyl)benzoic acid

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

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1 entries where EAJ 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 EAJ

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Chemical Component Summary
Name	3-(2-methoxyphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(2-methoxyphenyl)benzoic acid
Formula	C₁₄ H₁₂ O₃
Molecular Weight	228.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccccc1c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccccc1c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey	InChI	1.03	COUUHAJQLHMNJM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2759547
ChEMBL	CHEMBL4168210

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.