3-methyl-7-oxidanyl-3H-2-benzofuran-1-one hydrate

Systemtic Name: 3-methyl-7-oxidanyl-3H-2-benzofuran-1-one hydrate Openeye Name: 7-hydroxy-3-methyl-3H-isobenzofuran-1-one hydrate CAS Name: 7-hydroxy-3-methyl-3H-isobenzofuran-1-one hydrate IUPAC Name: 7-hydroxy-3-methyl-3H-2-benzofuran-1-one hydrate Traditional Name: 7-hydroxy-3-methyl-phthalide hydrate Formula: C9H10O4 MolecularWeight: 182.1733

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC=C2)O)C(=O)O1.O

Isomeric SMILES

CC1C2=C(C(=CC=C2)O)C(=O)O1.O

InChI

InChI=1S/C9H8O3.H2O/c1-5-6-3-2-4-7(10)8(6)9(11)12-5;/h2-5,10H,1H3;1H2