3-(3-aminophenyl)-6-methyl-2-oxidanyl-pyran-4-one hydrochloride

Systemtic Name: 3-(3-aminophenyl)-6-methyl-2-oxidanyl-pyran-4-one hydrochloride Openeye Name: 3-(3-aminophenyl)-2-hydroxy-6-methyl-pyran-4-one hydrochloride CAS Name: 3-(3-aminophenyl)-2-hydroxy-6-methyl-4-pyranone hydrochloride IUPAC Name: 3-(3-aminophenyl)-2-hydroxy-6-methylpyran-4-one hydrochloride Traditional Name: 3-(3-aminophenyl)-2-hydroxy-6-methyl-pyran-4-one hydrochloride Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C2=CC(=CC=C2)N.Cl

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C2=CC(=CC=C2)N.Cl

InChI

InChI=1S/C12H11NO3.ClH/c1-7-5-10(14)11(12(15)16-7)8-3-2-4-9(13)6-8;/h2-6,15H,13H2,1H3;1H