pentan-3-one; 1-phenylpropan-1-one

Systemtic Name: pentan-3-one; 1-phenylpropan-1-one Openeye Name: pentan-3-one; 1-phenylpropan-1-one CAS Name: 3-pentanone; 1-phenyl-1-propanone IUPAC Name: pentan-3-one; 1-phenylpropan-1-one Traditional Name: pentan-3-one; propiophenone Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC.CCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(=O)CC.CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H10O.C5H10O/c1-2-9(10)8-6-4-3-5-7-8;1-3-5(6)4-2/h3-7H,2H2,1H3;3-4H2,1-2H3