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4-oxidanylidene-1H-pyridine-2,6-dicarboxylic acid hydrate

4-oxidanylidene-1H-pyridine-2,6-dicarboxylic acid hydrate

Systemtic Name:4-oxidanylidene-1H-pyridine-2,6-dicarboxylic acid hydrate
Openeye Name:4-oxo-1H-pyridine-2,6-dicarboxylic acid hydrate
CAS Name:4-oxo-1H-pyridine-2,6-dicarboxylic acid hydrate
IUPAC Name:4-oxo-1H-pyridine-2,6-dicarboxylic acid hydrate
Traditional Name:4-keto-1H-pyridine-2,6-dicarboxylic acid hydrate
Formula: C7H7NO6
MolecularWeight: 201.13358
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O


Isomeric SMILES

C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O


InChI

InChI=1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2


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