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15185-43-0 | 3,3'-DIETHYL-2,2'-OXATHIACARBOCYANINE IODIDE
CAS No: 15185-43-0 Catalog No: AG00ACOX MDL No:
Product Description
Catalog Number:
AG00ACOX
Chemical Name:
3,3'-DIETHYL-2,2'-OXATHIACARBOCYANINE IODIDE
CAS Number:
15185-43-0
IUPAC Name:
3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C25H25N2O2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
UZLDSPSTABQEQP-UHFFFAOYSA-M
EC Number:
239-237-1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.096g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.391g/mol
Monoisotopic Mass:
512.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
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