28A

3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one

Created:	2013-09-06
Last modified:	2013-09-25

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1 entries where 28A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 28A

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Chemical Component Summary
Name	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one
Systematic Name (OpenEye OEToolkits)	2-(3-methoxyphenyl)-5-oxidanyl-3H-pyridin-6-one
Formula	C₁₂ H₁₁ N O₃
Molecular Weight	217.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N=C(c1cccc(OC)c1)CC=C2O
SMILES	CACTVS	3.385	COc1cccc(c1)C2=NC(=O)C(=CC2)O
SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)C2=NC(=O)C(=CC2)O
Canonical SMILES	CACTVS	3.385	COc1cccc(c1)C2=NC(=O)C(=CC2)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)C2=NC(=O)C(=CC2)O
InChI	InChI	1.03	InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-4,6-7,14H,5H2,1H3
InChIKey	InChI	1.03	UGMJNFNGAUVDRE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348033

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