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41729-43-5 | 2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
CAS No: 41729-43-5 Catalog No: AG00C7WP MDL No:
Product Description
Catalog Number:
AG00C7WP
Chemical Name:
2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
CAS Number:
41729-43-5
IUPAC Name:
N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;iodide
InChI:
InChI=1S/C21H23N2O2.HI/c1-5-22-19-13-15(2)16(3)14-20(19)25-21(22)11-12-23(17(4)24)18-9-7-6-8-10-18;/h6-14H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
ZXWXLKDCEHARTI-UHFFFAOYSA-M
EC Number:
255-522-3
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
462.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.331g/mol
Monoisotopic Mass:
462.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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