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53213-90-4 | 3,3'-DIPROPYLOXADICARBOCYANINE IODIDE
CAS No: 53213-90-4 Catalog No: AG00DK8A MDL No:
Product Description
Catalog Number:
AG00DK8A
Chemical Name:
3,3'-DIPROPYLOXADICARBOCYANINE IODIDE
CAS Number:
53213-90-4
IUPAC Name:
(2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C25H27N2O2.HI/c1-3-18-26-20-12-8-10-14-22(20)28-24(26)16-6-5-7-17-25-27(19-4-2)21-13-9-11-15-23(21)29-25;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
InChI Key:
VILDQFLUZSBAGE-UHFFFAOYSA-M
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
514.112g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.407g/mol
Monoisotopic Mass:
514.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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