Molecule ID: 673160

IUPAC Name: (2-ethoxy-4-formylphenyl) 2-methylpropanoate

Description: The molecule is a member of the class of benzaldehydes that is benzaldehyde substituted by an ethoxy group at position 3 and by a (2-methylpropanoyl)oxy group at position 4. It has a role as a flavouring agent. It is an aromatic ether, a member of benzaldehydes and a carboxylic ester.

SMILES: CCOc1cc(C=O)ccc1OC(=O)C(C)C

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

InChI: InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.5