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Acedoben-[d3]

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General Information
Catalog: BLP-003196
CAS: 57742-39-9
Molecular Formula: C9H6D3NO3
Molecular Weight: 182.19

Chemical Structure

Description	Acedoben-[d3] is an isotope compound of Acedoben. Acedoben (4-acetamidobenzoic acid) is a chemical compound with the molecular formula of C9H9NO3. It is the acetyl derivative of para-aminobenzoic acid (PABA).
Synonyms	4-(Acetylamino)benzoic Acid-d3; 4-Acetamidobenzoic Acid-d3; 4'-Carboxyacetanilide-d3; N-Acetyl-p-aminobenzoic Acid-d3; NSC 4002-d3; p-(Acetoamino)benzoic Acid-d3; p-(Acetylamino)benzoic Acid-d3; p-Acetamidobenzoic Acid-d3; p-Acetaminobenzoic Acid-d3
IUPAC Name	4-[(2,2,2-trideuterioacetyl)amino]benzoic acid
Related CAS	556-08-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)C(=O)O
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/i1D3
InChI Key	QCXJEYYXVJIFCE-FIBGUPNXSA-N
Melting Point	>252°C (dec.)
Purity	> 98%
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	-20°C