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52078-66-7 | 5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE
CAS No: 52078-66-7 Catalog No: AG00DCEB MDL No:
Product Description
Catalog Number:
AG00DCEB
Chemical Name:
5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE
CAS Number:
52078-66-7
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole;iodide
InChI:
InChI=1S/C25H29N2O2.HI/c1-7-26-20-12-16(3)18(5)14-22(20)28-24(26)10-9-11-25-27(8-2)21-13-17(4)19(6)15-23(21)29-25;/h9-15H,7-8H2,1-6H3;1H/q+1;/p-1
InChI Key:
XFGPBUWHEYUAMX-UHFFFAOYSA-M
EC Number:
257-642-1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.423g/mol
Monoisotopic Mass:
516.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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