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Chemical structure of Piperonyl methyl ketone

GC41622

Piperonyl methyl ketone

Also known as 1-(1,3-benzodioxol-5-yl)propan-2-one

Piperonyl methyl ketone is a precursor or intermediate in the synthesis of methylenedioxy phenethylamines and amphetamines, including 3,4-MDMA

ChemicalCAS4676-39-5MW178.2FormulaC10H10O3
CAS number
4676-39-5
Molecular weight
178.2
Formula
C10H10O3
Solubility
DMF： 30 mg/ml,DMSO： 25 mg/ml,Ethanol： 30 mg/ml,Methanol： 10 mg/ml,PBS (pH 7·2)： 3 mg/ml
InChIKey
XIYKRJLTYKUWAM-UHFFFAOYSA-N
Catalogue number
GC41622
Brand
GLPBIO
Computed properties PubChem CID 78407 · XLogP 1.6 · TPSA 35.5 Ų · H-bond donors 0
XLogP
1.6
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

SMILES CC(=O)CC1=CC2=C(C=C1)OCO2

Computed descriptors from PubChem (CID 78407), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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