Molecule ID: 440647

IUPAC Name: 2-hydroxy-2H-pyran-4,6-dicarboxylic acid

Description: The molecule is a dicarboxylic acid comprising 2-hydroxy-2H-pyran having two carboxy groups located at the 4- and 6-positions. It is a dicarboxylic acid, a member of pyrans and a lactol. It is a conjugate acid of a 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2-).

SMILES: O=C(O)C1=CC(O)OC(C(=O)O)=C1

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

InChI: InChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -0.4