Molecule ID: 87247

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

Description: The molecule is a member of the class of coumarins that is 4-methylumbelliferone in which the hydroxyl hydrogen is replaced by a butyryl group. It has a role as a chromogenic compound. It is a member of coumarins and a butyrate ester. It derives from a 4-methylumbelliferone.

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

SELFIES: [C][C][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/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.8