Molecule ID: 68073

IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone

Description: The molecule is a benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. It has a role as a MALDI matrix material and a plant metabolite. It is a methyl ketone, a benzenetriol and an aromatic ketone.

SMILES: CC(=O)c1c(O)cc(O)cc1O

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

InChI: InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 1.1