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63123-20-6 | 2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS No: 63123-20-6 Catalog No: AG00ETAG MDL No:
Product Description
Catalog Number:
AG00ETAG
Chemical Name:
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS Number:
63123-20-6
IUPAC Name:
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
DGWMOZHMDMZOJW-UHFFFAOYSA-M
EC Number:
263-869-7
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.177g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.591g/mol
Monoisotopic Mass:
479.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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