PWY

(6-methoxynaphthalen-2-yl)acetic acid

Created:	2019-08-28
Last modified:	2019-09-04

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1 entries where PWY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of PWY

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Chemical Component Summary
Name	(6-methoxynaphthalen-2-yl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-(6-methoxynaphthalen-2-yl)ethanoic acid
Formula	C₁₃ H₁₂ O₃
Molecular Weight	216.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(CC(=O)O)cc2c1cc(cc2)OC
SMILES	CACTVS	3.385	COc1ccc2cc(CC(O)=O)ccc2c1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)CC(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccc2cc(CC(O)=O)ccc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)CC(=O)O
InChI	InChI	1.03	InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey	InChI	1.03	PHJFLPMVEFKEPL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1105
PubChem	32176
ChEMBL	CHEMBL1105
ChEBI	CHEBI:35628

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