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Chemical structure of 2,5-dimethoxycyclohexa-2,5-diene-1,4-dio

GC26702

2,5-dimethoxycyclohexa-2,5-diene-1,4-dio

Also known as 2,5-dimethoxycyclohexa-2,5-diene-1,4-dione

2,5-dimethoxycyclohexa-2,5-diene-1,4-dio (Thermophillin) is a natural product

ChemicalCAS3117-03-1MW168.15FormulaC8H8O4
CAS number
3117-03-1
Molecular weight
168.15
Formula
C8H8O4
Solubility
DMSO： ＜ 1·68 mg/mL (10 mM, insoluble or slightly soluble)
InChIKey
RMMPZDDLWLALLJ-UHFFFAOYSA-N
Catalogue number
GC26702
Brand
GLPBIO
Computed properties PubChem CID 101405 · XLogP -0.1 · TPSA 52.6 Ų · H-bond donors 0
XLogP
-0.1
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

SMILES COC1=CC(=O)C(=CC1=O)OC

Computed descriptors from PubChem (CID 101405), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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