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63148-99-2 | 3-ethyl-2-methyl-5-sulphonatobenzoxazolium
CAS No: 63148-99-2 Catalog No: AG00ETQL MDL No:
Product Description
Catalog Number:
AG00ETQL
Chemical Name:
3-ethyl-2-methyl-5-sulphonatobenzoxazolium
CAS Number:
63148-99-2
IUPAC Name:
3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate
InChI:
InChI=1S/C10H11NO4S/c1-3-11-7(2)15-10-5-4-8(6-9(10)11)16(12,13)14/h4-6H,3H2,1-2H3
InChI Key:
ALUDXYYRAJGCDC-UHFFFAOYSA-N
EC Number:
263-948-6
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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