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Chemical structure of 1,4-Dioxane-2,5-diol

GC38242

1,4-Dioxane-2,5-diol

Also known as 1,4-dioxane-2,5-diol

1,4-Dioxane-2,5-diol is an endogenous metabolite

ChemicalCAS23147-58-2MW120.1FormulaC4H8O4
CAS number
23147-58-2
Molecular weight
120.1
Formula
C4H8O4
Solubility
DMSO ： 100 mg/mL (832·64 mM; Need ultrasonic)
InChIKey
ATFVTAOSZBVGHC-UHFFFAOYSA-N
Catalogue number
GC38242
Brand
GLPBIO
Computed properties PubChem CID 186078 · XLogP -1.3 · TPSA 58.9 Ų · H-bond donors 2
XLogP
-1.3
TPSA
58.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
8

SMILES C1C(OCC(O1)O)O

Computed descriptors from PubChem (CID 186078), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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