Methyl nicotinate-2,4,5,6-d4

• CAS: 345909-99-1
• Catalog Number: ACM345909991
• Category: Other Products
• Molecular Weight: 141.16
• Molecular Formula: C₇H₃D₄NO₂
• Synonyms: Methyl nicotinate-d4
• IUPAC Name: methyl 2,4,5,6-tetradeuteriopyridine-3-carboxylate
• Canonical SMILES: COC(=O)C1=CN=CC=C1
• InChI: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i2D,3D,4D,5D
• InChI Key: YNBADRVTZLEFNH-QFFDRWTDSA-N
• Exact Mass: 141.07300
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Isomeric SMILES: [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)OC)[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