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Chemical structure of 3-Oxopentanedioic acid

GC30353

3-Oxopentanedioic acid

Also known as 3-oxopentanedioic acid

3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis

ChemicalCAS542-05-2MW146.1FormulaC5H6O5
CAS number
542-05-2
Molecular weight
146.1
Formula
C5H6O5
Solubility
DMSO : 120 mg/mL (821·36 mM; Need ultrasonic); H2O : < 0·1 mg/mL (insoluble)
InChIKey
OXTNCQMOKLOUAM-UHFFFAOYSA-N
Catalogue number
GC30353
Brand
GLPBIO
Computed properties PubChem CID 68328 · XLogP -0.7 · TPSA 91.7 Ų · H-bond donors 2
XLogP
-0.7
TPSA
91.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
10

SMILES C(C(=O)CC(=O)O)C(=O)O

Computed descriptors from PubChem (CID 68328), 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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