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Chemical structure of 3,6-diacetoxy Phthalonitrile

GC42239

3,6-diacetoxy Phthalonitrile

Also known as (4-acetyloxy-2,3-dicyanophenyl) acetate

3,6-diacetoxy Phthalonitrile is a cell-permeable fluorescent probe

ChemicalCAS83619-73-2MW244.2FormulaC12H8N2O4
CAS number
83619-73-2
Molecular weight
244.2
Formula
C12H8N2O4
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml
InChIKey
VXDCGBVAZDYTFK-UHFFFAOYSA-N
Catalogue number
GC42239
Brand
GLPBIO
Computed properties PubChem CID 134319 · XLogP 0.9 · TPSA 100 Ų · H-bond donors 0
XLogP
0.9
TPSA
100 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

SMILES CC(=O)OC1=C(C(=C(C=C1)OC(=O)C)C#N)C#N

Computed descriptors from PubChem (CID 134319), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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