Molecule ID: 75579760

IUPAC Name: 2-benzyl-4-formyl-1,3-oxazol-5-olate

Description: The molecule is an organic anion that is the conjugate base of 2-benzyl-4-hydroxymethylene-5-oxazolone, arising from deprotonation of the enolic OH group. It is a conjugate base of a 2-benzyl-4-hydroxymethylene-5-oxazolone.

SMILES: O=Cc1nc(Cc2ccccc2)oc1[O-]

SELFIES: [O][=C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][N][O-1]

InChI: InChI=1S/C11H9NO3/c13-7-9-11(14)15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2/p-1

Molecular Properties:
- Polar Surface Area: 66.2 Ų
- LogP: 2.7