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63123-41-1 | 3-(2-methoxyethyl)-2-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS No: 63123-41-1 Catalog No: AG00F5RO MDL No:
Product Description
Catalog Number:
AG00F5RO
Chemical Name:
3-(2-methoxyethyl)-2-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS Number:
63123-41-1
IUPAC Name:
3-(2-methoxyethyl)-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C17H18NO2.C7H8O3S/c1-13-18(10-11-19-2)16-12-15(8-9-17(16)20-13)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,12H,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
HMHRSYYUNKHLLK-UHFFFAOYSA-M
EC Number:
263-883-3
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.145g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.526g/mol
Monoisotopic Mass:
439.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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