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55526-94-8 | benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-,hydroxide, inner salt
CAS No: 55526-94-8 Catalog No: AG00DO0G MDL No:
Product Description
Catalog Number:
AG00DO0G
Chemical Name:
benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-,hydroxide, inner salt
CAS Number:
55526-94-8
IUPAC Name:
4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate
InChI:
InChI=1S/C18H19NO4S/c1-14-19(11-5-6-12-24(20,21)22)17-13-16(9-10-18(17)23-14)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChI Key:
FDUYUVDBSOXQMI-UHFFFAOYSA-N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.413g/mol
Monoisotopic Mass:
345.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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