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Chemical structure of 5,7-Dihydroxy-4-methylphthalide

GC70291

5,7-Dihydroxy-4-methylphthalide

Also known as 5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-one

5,7-Dihydroxy-4-methylphthalide is a key intermediate in the synthesis of Mycophenolic acid and a secondary metabolite of Aspergillus flavus

ChemicalCAS27979-57-3MW180.16FormulaC9H8O4
CAS number
27979-57-3
Molecular weight
180.16
Formula
C9H8O4
Solubility
DMSO ： 100 mg/mL (555·06 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
GXYQICKPCCBIIX-UHFFFAOYSA-N
Catalogue number
GC70291
Brand
GLPBIO
Computed properties PubChem CID 14503052 · XLogP 1.6 · TPSA 66.8 Ų · H-bond donors 2
XLogP
1.6
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

SMILES CC1=C2COC(=O)C2=C(C=C1O)O

Computed descriptors from PubChem (CID 14503052), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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