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Chemical structure of Chelidamic acid

GC30288

Chelidamic acid

Also known as 4-oxo-1H-pyridine-2,6-dicarboxylic acid

Chelidamic acid is a heterocyclic organic acid with a pyran skeleton

ChemicalCAS138-60-3MW183.12FormulaC7H5NO5
CAS number
138-60-3
Molecular weight
183.12
Formula
C7H5NO5
Solubility
DMSO: 10 mg/mL (54·61 mM); Water: 1 mg/mL (5·46 mM)
InChIKey
XTLJJHGQACAZMS-UHFFFAOYSA-N
Catalogue number
GC30288
Brand
GLPBIO
Computed properties PubChem CID 8743 · XLogP -0.4 · TPSA 104 Ų · H-bond donors 3
XLogP
-0.4
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
13

SMILES C1=C(NC(=CC1=O)C(=O)O)C(=O)O

Computed descriptors from PubChem (CID 8743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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