3,4-Methylenedioxybenzoic acid; Amide

AlkaPlorer ID: AK223937

Synonym: 3,4-Methylenedioxybenzamide

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

Structure

SMILES: NC(=O)C1=CC=C2OCOC2=C1

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InChI: InChI=1S/C8H7NO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H2,9,10)

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InChIKey: HUSYTLMIRXITQS-UHFFFAOYSA-N

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Reference

PubChem CID: 230365

CAS: 4847-94-3

SuperNatural Ⅲ: SN0135995

COCONUT: CNP0322148

Source

Properties Information

Molecule Weight: 165.14799999999997

TPSA: 61.55000000000001

MolLogP: 0.5142000000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information