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Chemical structure of Oxolinic acid-d5

GC71681

Oxolinic acid-d5

Also known as 8-oxo-5-(1,1,2,2,2-pentadeuterioethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

Oxolinic acid-d5 is the deuterium labeled Oxolinic acid

ChemicalCAS1189890-98-9MW266.26FormulaC13H6D5NO5
CAS number
1189890-98-9
Molecular weight
266.26
Formula
C13H6D5NO5
InChIKey
KYGZCKSPAKDVKC-ZBJDZAJPSA-N
Catalogue number
GC71681
Brand
GLPBIO
Computed properties PubChem CID 46782642 · XLogP -0.2 · TPSA 76.1 Ų · H-bond donors 1
XLogP
-0.2
TPSA
76.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

SMILES [2H]C([2H])([2H])C([2H])([2H])N1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O

Computed descriptors from PubChem (CID 46782642), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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