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Chemical structure of 1-oxo Ibuprofen

GC40723

1-oxo Ibuprofen

Also known as 2-[4-(2-methylpropanoyl)phenyl]propanoic acid

1-oxo Ibuprofen is a degradation product and potential impurity in commercial preparations of ibuprofen

ChemicalCAS65813-55-0MW220.3FormulaC13H16O3
CAS number
65813-55-0
Molecular weight
220.3
Formula
C13H16O3
Solubility
Chloroform: soluble
InChIKey
RCINGEKPKJQCMO-UHFFFAOYSA-N
Catalogue number
GC40723
Brand
GLPBIO
Computed properties PubChem CID 11499530 · XLogP 2.7 · TPSA 54.4 Ų · H-bond donors 1
XLogP
2.7
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

SMILES CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O

Computed descriptors from PubChem (CID 11499530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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