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Chemical structure of 9,10-Anthracenediyl-bis(methylene)dimalonic Acid

GC42642

9,10-Anthracenediyl-bis(methylene)dimalonic Acid

Also known as 2-[[10-(2,2-dicarboxyethyl)anthracen-9-yl]methyl]propanedioic acid

9,10-Anthracenediyl-bis(methylene)dimalonic acid (ABMDMA) is a reagent used to detect singlet oxygen generation

ChemicalCAS307554-62-7MW410.4FormulaC22H18O8
CAS number
307554-62-7
Molecular weight
410.4
Formula
C22H18O8
Solubility
20mg/mL in DMSO, 30mg/mL in DMF, 0·5 mg/ml in Water
InChIKey
DNUYOWCKBJFOGS-UHFFFAOYSA-N
Catalogue number
GC42642
Brand
GLPBIO
Computed properties PubChem CID 3458978 · XLogP 3.5 · TPSA 149 Ų · H-bond donors 4
XLogP
3.5
TPSA
149 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
30

SMILES C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O

Computed descriptors from PubChem (CID 3458978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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