1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl-


Chemical Name: 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl-
CAS Number: 2124-57-4
Product Number: AG007ON4(AGN-PC-0QXT8U)
Synonyms:
MDL No:
Molecular Formula: C46H64O2
Molecular Weight: 648.9992

Identification/Properties


Computed Properties
Molecular Weight:
649.016g/mol
XLogP3:
14.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
20
Exact Mass:
648.491g/mol
Monoisotopic Mass:
648.491g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
48
Formal Charge:
0
Complexity:
1310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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