3-(pyridin-2-ylmethylidene)pentane-2,4-dione hydrate

Systemtic Name: 3-(pyridin-2-ylmethylidene)pentane-2,4-dione hydrate Openeye Name: 3-(2-pyridylmethylene)pentane-2,4-dione hydrate CAS Name: 3-(2-pyridinylmethylidene)pentane-2,4-dione hydrate IUPAC Name: 3-(pyridin-2-ylmethylidene)pentane-2,4-dione hydrate Traditional Name: 3-(2-pyridylmethylene)pentane-2,4-dione hydrate Formula: C11H13NO3 MolecularWeight: 207.22582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=N1)C(=O)C.O

Isomeric SMILES

CC(=O)C(=CC1=CC=CC=N1)C(=O)C.O

InChI

InChI=1S/C11H11NO2.H2O/c1-8(13)11(9(2)14)7-10-5-3-4-6-12-10;/h3-7H,1-2H3;1H2