3H-2-benzofuran-1-one hydrate

Systemtic Name: 3H-2-benzofuran-1-one hydrate Openeye Name: 3H-isobenzofuran-1-one hydrate CAS Name: 3H-isobenzofuran-1-one hydrate IUPAC Name: 3H-2-benzofuran-1-one hydrate Traditional Name: phthalide hydrate Formula: C8H8O3 MolecularWeight: 152.14732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)O1.O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)O1.O

InChI

InChI=1S/C8H6O2.H2O/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2;1H2