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60126-36-5 | 3-ethyl-2-methylbenzoxazolium p-toluenesulphonate
CAS No: 60126-36-5 Catalog No: AG00ETTJ MDL No:
Product Description
Catalog Number:
AG00ETTJ
Chemical Name:
3-ethyl-2-methylbenzoxazolium p-toluenesulphonate
CAS Number:
60126-36-5
IUPAC Name:
3-ethyl-2-methyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C10H12NO.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
VUQSSSLPKYLMFL-UHFFFAOYSA-M
EC Number:
262-069-5
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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