Methyl 4-hydroxybenzoate-2,3,5,6-d4

• Catalog Number: ACM362049512
• Product Name: Methyl 4-hydroxybenzoate-2,3,5,6-d4
• CAS: 362049-51-2
• Category: Heterocyclic Organic Compound
• Synonyms: Methyl paraben-D4
• IUPAC Name: methyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
• Molecular Weight: 156.17
• Molecular Formula: C₈H₄D₄O₃
• 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
• Appearance: White solid
• Chemical Formula: HOC6D4COOCH3
• Exact Mass: 156.07200
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])O)[2H]
• Stability: Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Store at room temperature