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51981-34-1 | 2-methyl-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium
CAS No: 51981-34-1 Catalog No: AG00E298 MDL No:
Product Description
Catalog Number:
AG00E298
Chemical Name:
2-methyl-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium
CAS Number:
51981-34-1
IUPAC Name:
4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate
InChI:
InChI=1S/C18H19NO4S/c1-13(24(20,21)22)10-11-19-14(2)23-18-9-8-16(12-17(18)19)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
InChI Key:
LXYXJHCXGLHZPE-UHFFFAOYSA-N
EC Number:
257-575-8
Properties
Complexity:
498
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:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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