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18300-31-7 | 1 1'-DIETHYL-4 4'-DICARBOCYANINE IODIDE
CAS No: 18300-31-7 Catalog No: AG00ACP4 MDL No:
Product Description
Catalog Number:
AG00ACP4
Chemical Name:
1 1'-DIETHYL-4 4'-DICARBOCYANINE IODIDE
CAS Number:
18300-31-7
IUPAC Name:
(4E)-1-ethyl-4-[(2E,4E)-5-(1-ethylquinolin-1-ium-4-yl)penta-2,4-dienylidene]quinoline;iodide
InChI:
InChI=1S/C27H27N2.HI/c1-3-28-20-18-22(24-14-8-10-16-26(24)28)12-6-5-7-13-23-19-21-29(4-2)27-17-11-9-15-25(23)27;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
XDGZLJIBGBJNTI-UHFFFAOYSA-M
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
506.122g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.431g/mol
Monoisotopic Mass:
506.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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