Molecular Identity
Piperonyl acetate
1,3-benzodioxol-5-ylmethyl acetate
PubChem CID: 9473
Piperonyl acetate is a member of benzodioxoles.
2D Structure
Properties
C10H10O4
Molecular Formula
194.18
Molecular Weight
g/mol
194.0579
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
44.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
216
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OCC1=CC2=C(C=C1)OCO2Isomeric SMILES
SMILES: CC(=O)OCC1=CC2=C(C=C1)OCO2Synonyms(20)
PIPERONYL ACETATE326-61-4Heliotropyl acetate1,3-benzodioxol-5-ylmethyl acetateHeliotropin acetatePiperonyl alcohol, acetate3,4-Methylenedioxybenzyl acetateFEMA No. 29121,3-Benzodioxole-5-methanol, acetateAcetic acid, (3,4-methylenedioxy)benzyl esterDTXSID2025925090XZ4C7VN1,3-Benzodioxole-5-methanol, 5-acetateNSC-406725DTXCID905925
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Piperonyl acetate
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