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42880-17-1 | 3-ethyl-2-[2-(N-phenylacetamido)vinyl]benzoxazolium p-toluenesulphonate
CAS No: 42880-17-1 Catalog No: AG00CV42 MDL No:
Product Description
Catalog Number:
AG00CV42
Chemical Name:
3-ethyl-2-[2-(N-phenylacetamido)vinyl]benzoxazolium p-toluenesulphonate
CAS Number:
42880-17-1
IUPAC Name:
N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;4-methylbenzenesulfonate
InChI:
InChI=1S/C19H19N2O2.C7H8O3S/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
CFVFENXFMHXVDS-UHFFFAOYSA-M
EC Number:
255-986-7
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
478.156g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.563g/mol
Monoisotopic Mass:
478.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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