6-methylchromen-4-one hydrate

Systemtic Name: 6-methylchromen-4-one hydrate Openeye Name: 6-methylchromen-4-one hydrate CAS Name: 6-methyl-1-benzopyran-4-one hydrate IUPAC Name: 6-methylchromen-4-one hydrate Traditional Name: 6-methylchromone hydrate Formula: C10H10O3 MolecularWeight: 178.1846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=CC2=O.O

Isomeric SMILES

CC1=CC2=C(C=C1)OC=CC2=O.O

InChI

InChI=1S/C10H8O2.H2O/c1-7-2-3-10-8(6-7)9(11)4-5-12-10;/h2-6H,1H3;1H2