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Catalog Number | ACM81010299 |
CAS Number | 81010-29-9 |
Molecular Weight | 356.4 |
InChI | InChI=1S/C21H25NO4/c1-22-8-7-14-10-19(24-2)20(25-3)11-15(14)17(22)9-13-5-6-18(23)21(26-4)16(13)12-22/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1/t17-,22/m1/s1 |
InChI Key | XIECYMHDZZEAND-PLEWWHCXSA-O |
Purity | 95%+ |
Complexity | 502 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 1 |
Exact Mass | 356.18618331 |
Heavy Atom Count | 26 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | C[N+]12CCC3=CC(=C(C=C3[C@H]1CC4=C(C2)C(=C(C=C4)O)OC)OC)OC |
Monoisotopic Mass | 356.18618331 |
PhysicalState | Powder |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 47.9 Ų |
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