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Methyl Paraben-[d4]

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General Information
Catalog: BLP-011948
CAS: 362049-51-2
Molecular Formula: C8H4D4O3
Molecular Weight: 156.17

Chemical Structure

Synonyms	Methyl Paraben D4; Methyl 4-hydroxy(2H4)benzoate; 4-Hydroxybenzoic Acid-d4 Methyl Ester; 4-Carbomethoxyphenol-d4
IUPAC Name	methyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
Related CAS	99-76-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])O)[2H]
Canonical SMILES	COC(=O)C1=CC=C(C=C1)O
InChI	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3/i2D,3D,4D,5D
InChI Key	LXCFILQKKLGQFO-QFFDRWTDSA-N
Boiling Point	265.5±13.0 °C at 760 mmHg
Purity	98% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C