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55036-57-2 | 2-(2-Anilinovinyl)-3-(3-sulfonatopropyl)benzoxazolium
CAS No: 55036-57-2 Catalog No: AG00DNWJ MDL No:
Product Description
Catalog Number:
AG00DNWJ
Chemical Name:
2-(2-Anilinovinyl)-3-(3-sulfonatopropyl)benzoxazolium
CAS Number:
55036-57-2
IUPAC Name:
3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C18H18N2O4S/c21-25(22,23)14-6-13-20-16-9-4-5-10-17(16)24-18(20)11-12-19-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14H2,(H,21,22,23)
InChI Key:
REGUHQHMXCRFSM-UHFFFAOYSA-N
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.412g/mol
Monoisotopic Mass:
358.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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