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52123-15-6 | 2-(2-Ethoxy-1-propenyl)-3-(3-sulfonatobutyl)benzothiazol-3-ium
CAS No: 52123-15-6 Catalog No: AG00DTGU MDL No:
Product Description
Catalog Number:
AG00DTGU
Chemical Name:
2-(2-Ethoxy-1-propenyl)-3-(3-sulfonatobutyl)benzothiazol-3-ium
CAS Number:
52123-15-6
IUPAC Name:
4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
InChI:
InChI=1S/C16H21NO4S2/c1-4-21-12(2)11-16-17(10-9-13(3)23(18,19)20)14-7-5-6-8-15(14)22-16/h5-8,11,13H,4,9-10H2,1-3H3
InChI Key:
UFJCXYKTYMDASD-UHFFFAOYSA-N
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.467g/mol
Monoisotopic Mass:
355.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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