chromen-2-one hydrate

Systemtic Name: chromen-2-one hydrate Openeye Name: chromen-2-one hydrate CAS Name: 1-benzopyran-2-one hydrate IUPAC Name: chromen-2-one hydrate Traditional Name: coumarin hydrate Formula: C18H14O5 MolecularWeight: 310.30076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC=C2C(=C1)C=CC(=O)O2.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC=C2C(=C1)C=CC(=O)O2.O

InChI

InChI=1S/2C9H6O2.H2O/c2*10-9-6-5-7-3-1-2-4-8(7)11-9;/h2*1-6H;1H2