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Catalog Number | ACM141433605 |
CAS Number | 141433-60-5 |
Structure | ![]() |
Synonyms | 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride hydrate |
Molecular Weight | 389.8 |
InChI | InChI=1S/C20H18NO4.ClH.H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H;1H2/q+1;/p-1 |
InChI Key | BPNJXFPOPCFZOC-UHFFFAOYSA-M |
Melting Point | 204-206 °C |
Purity | 95%+ |
Complexity | 488 |
Covalently-Bonded Unit Count | 3 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 389.1030004 |
Heavy Atom Count | 27 |
Hydrogen Bond Acceptor Count | 6 |
Hydrogen Bond Donor Count | 1 |
Monoisotopic Mass | 389.1030004 |
PhysicalState | Solid |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 41.8 Ų |
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