2,2-dimethyl-3H-chromen-4-one; N-methylmethanamine

Systemtic Name: 2,2-dimethyl-3H-chromen-4-one; N-methylmethanamine Openeye Name: 2,2-dimethylchroman-4-one; N-methylmethanamine CAS Name: 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; N-methylmethanamine IUPAC Name: 2,2-dimethyl-3H-chromen-4-one; N-methylmethanamine Traditional Name: dimethylamine; 2,2-dimethylchroman-4-one Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC=CC=C2O1)C.CNC

Isomeric SMILES

CC1(CC(=O)C2=CC=CC=C2O1)C.CNC

InChI

InChI=1S/C11H12O2.C2H7N/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;1-3-2/h3-6H,7H2,1-2H3;3H,1-2H3