Molecule ID: 366

IUPAC Name: (4-methyl-2-oxochromen-7-yl) acetate

Description: The molecule is an acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. It has a role as a plant metabolite. It is an acetate ester and a member of coumarins. It derives from an umbelliferone.

SMILES: CC(=O)Oc1ccc2c(C)cc(=O)oc2c1

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

InChI: InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.0