Molecule ID: 8438

IUPAC Name: 1,3-benzodioxole-5-carbaldehyde

Description: The molecule is an arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. It has a role as a plant metabolite, a fragrance and an insect repellent. It is a member of benzodioxoles and an arenecarbaldehyde.

SMILES: O=Cc1ccc2c(c1)OCO2

SELFIES: [O][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]

InChI: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 1.1