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65776-61-6 | 2-(2-ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
CAS No: 65776-61-6 Catalog No: AG00FO6N MDL No:
Product Description
Catalog Number:
AG00FO6N
Chemical Name:
2-(2-ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
CAS Number:
65776-61-6
IUPAC Name:
3-[2-(2-ethoxybut-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C17H23NO5S2/c1-4-13(23-5-2)12-17-18(9-6-10-25(19,20)21)15-11-14(22-3)7-8-16(15)24-17/h7-8,11-12H,4-6,9-10H2,1-3H3
InChI Key:
OCOQIXABQGDZEQ-UHFFFAOYSA-N
EC Number:
265-918-8
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.493g/mol
Monoisotopic Mass:
385.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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