4-methylpentan-2-one; 1-phenylethanone

Systemtic Name: 4-methylpentan-2-one; 1-phenylethanone Openeye Name: 4-methylpentan-2-one; 1-phenylethanone CAS Name: 4-methyl-2-pentanone; 1-phenylethanone IUPAC Name: 4-methylpentan-2-one; 1-phenylethanone Traditional Name: acetophenone; 4-methylpentan-2-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)C.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O.C6H12O/c1-7(9)8-5-3-2-4-6-8;1-5(2)4-6(3)7/h2-6H,1H3;5H,4H2,1-3H3