HNS

3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid

Created:	2018-07-16
Last modified:	2019-07-17

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1 entries where HNS 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	6

2D diagram of HNS

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Chemical Component Summary
Name	3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-(2-methylphenyl)-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid
Formula	C₁₃ H₁₁ N O₄
Molecular Weight	245.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C
SMILES	CACTVS	3.385	Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKey	InChI	1.03	XRLUBEBGQPTVFH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	130423218

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