Home Other Building Blocks 3,3'-Dihexyloxacarbocyanine Iodide

3,3'-Dihexyloxacarbocyanine Iodide

CAS No.:
53213-82-4
Catalog Number:
AG003ICY
Molecular Formula:
C29H37IN2O2
Molecular Weight:
572.5207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
98%
1 week
United States
$140
- +
500mg
≥98%
1 week
United States
$175
- +
1g
≥98%
1 week
United States
$282
- +
Product Description
Catalog Number:
AG003ICY
Chemical Name:
3,3'-Dihexyloxacarbocyanine Iodide
CAS Number:
53213-82-4
Molecular Formula:
C29H37IN2O2
Molecular Weight:
572.5207
MDL Number:
MFCD00011954
IUPAC Name:
3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChI Key:
XVLXYDXJEKLXHN-UHFFFAOYSA-M
SMILES:
CCCCCC[n+]1c(/C=C/C=c/2\oc3c(n2CCCCCC)cccc3)oc2c1cccc2.[I-]
Properties
Complexity:
581  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.19g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.531g/mol
Monoisotopic Mass:
572.19g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
Literature
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Properties