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Catalog Number | ACM4277434-1 |
CAS Number | 4277-43-4 |
Synonyms | Thalictrine iodide |
Molecular Weight | 469.3 |
InChI | InChI=1S/C20H23NO4.HI/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1 |
InChI Key | ODRHNGNRVVELAJ-ZOWNYOTGSA-N |
Melting Point | 248-249 °C |
Purity | 90%+ |
Complexity | 498 |
Covalently-Bonded Unit Count | 2 |
Defined Atom Stereocenter Count | 1 |
Exact Mass | 469.07501 |
Heavy Atom Count | 26 |
Hydrogen Bond Acceptor Count | 5 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[I-] |
Monoisotopic Mass | 469.07501 |
PhysicalState | Powder |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 58.9 Ų |
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