3-Hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

• CAS: 34834-67-8
• Catalog Number: ACM34834678
• Category: Other Products
• Molecular Weight: 192.21
• Molecular Formula: C10H12N2O2
• Synonyms: Hydroxycotinine
• IUPAC Name: (3R,5S)-3-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
• Canonical SMILES: CN1C(CC(C1=O)O)C2=CN=CC=C2
• InChI: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
• InChI Key: XOKCJXZZNAUIQN-DTWKUNHWSA-N
• Boiling Point: 416.5±45.0 °C
• Melting Point: 107-109 °C
• Flash Point: 9 °C
• Density: 1.275±0.06 g/cm³
• Storage: Hygroscopic, -20 °C freezer, under inert atmosphere
• Complexity: 232
• Exact Mass: 192.089877630
• Isomeric SMILES: CN1[C@@H](C[C@H](C1=O)O)C2=CN=CC=C2
• Monoisotopic Mass: 192.089877630
• pKa: 13.02±0.40(Predicted)
• Topological Polar Surface Area: 53.4 Ų