Molecule ID: 19849282

IUPAC Name: 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione;dihydrate

Description: The molecule is the hydrate of tetrahydroxy-1,4-benzoquinone. The number of water molecules of crystallization (n) is variable, although most commonly the dihydrate (shown in the diagram) is formed in the solid phase. It contains a tetrahydroxy-1,4-benzoquinone.

SMILES: O.O.O=C1C(O)=C(O)C(=O)C(O)=C1O

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

InChI: InChI=1S/C6H4O6.2H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;2*1H2

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: nan