Molecule ID: 122903

IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione

Description: The molecule is a pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables. It has a role as a fungicide, an antibacterial agent and a plasticiser. It is a pyran-2,4-dione and a ketone.

SMILES: CC(=O)C1C(=O)C=C(C)OC1=O

SELFIES: [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O]

InChI: InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 0.3