Molecule ID: 602779

IUPAC Name: methyl 4-acetyloxy-3-methoxybenzoate

Description: The molecule is a benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively. It is a benzoate ester, a monomethoxybenzene and a member of phenyl acetates. It derives from a methyl vanillate.

SMILES: COC(=O)c1ccc(OC(C)=O)c(OC)c1

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

InChI: InChI=1S/C11H12O5/c1-7(12)16-9-5-4-8(11(13)15-3)6-10(9)14-2/h4-6H,1-3H3

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 1.7