125224-43-3 Purity
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Specification
The molecular formula of Dracorhodin perochlorate is C17H15ClO7.
The molecular weight of Dracorhodin perochlorate is 366.7 g/mol.
The IUPAC Name of Dracorhodin perochlorate is 5-methoxy-6-methyl-2-phenylchromenylium-7-ol;perchlorate.
The InChI of Dracorhodin perochlorate is InChI=1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5).
The InChIKey of Dracorhodin perochlorate is KRTYZFUODYMZPG-UHFFFAOYSA-N.
The canonical SMILES of Dracorhodin perochlorate is CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O.
The hydrogen bond donor count of Dracorhodin perochlorate is 1.
The hydrogen bond acceptor count of Dracorhodin perochlorate is 6.
There are 2 rotatable bonds in Dracorhodin perochlorate.
The topological polar surface area of Dracorhodin perochlorate is 105?2.