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1054-00-8 | 3-ethyl-2-[2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]benzoxazolium iodide
CAS No: 1054-00-8 Catalog No: AG009O70 MDL No:
Product Description
Catalog Number:
AG009O70
Chemical Name:
3-ethyl-2-[2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]benzoxazolium iodide
CAS Number:
1054-00-8
IUPAC Name:
3-ethyl-2-[2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C23H25N2O2.HI/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1
InChI Key:
HHGMBQLZDCLPTL-UHFFFAOYSA-M
EC Number:
213-889-7
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.096g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.369g/mol
Monoisotopic Mass:
488.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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