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63870-45-1

63870-45-1 structural image
Product Name: 5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
Formula: C25H29IN2OS
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COMPUTED DESCRIPTORS

Molecular Weight 532.5 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 532.10453 g/mol
Monoisotopic Mass 532.10453 g/mol
Topological Polar Surface Area 44.6 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 632
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes