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Chemical structure of 4,4-Dimethoxy-2-butanone

GC60510

4,4-Dimethoxy-2-butanone

Also known as 4,4-dimethoxybutan-2-one

4,4-Dimethoxy-2-butanone is an endogenous metabolite

ChemicalCAS5436-21-5MW132.16FormulaC6H12O3
CAS number
5436-21-5
Molecular weight
132.16
Formula
C6H12O3
Solubility
DMSO ： 100 mg/mL (756·66 mM; Need ultrasonic)
InChIKey
PJCCSZUMZMCWSX-UHFFFAOYSA-N
Catalogue number
GC60510
Brand
GLPBIO
Computed properties PubChem CID 228548 · XLogP -0.3 · TPSA 35.5 Ų · H-bond donors 0
XLogP
-0.3
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9

SMILES CC(=O)CC(OC)OC

Computed descriptors from PubChem (CID 228548), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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