Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester


Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
CAS Number: 6683-19-8
Product Number: AG003TL2(AGN-PC-0TM955)
Synonyms:
MDL No:
Molecular Formula: C73H108O12
Molecular Weight: 1177.6314

Identification/Properties


Properties
MP:
115-118 °C (dec.)(lit.)
BP:
1005.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6390 (estimate)
Computed Properties
Molecular Weight:
1177.655g/mol
XLogP3:
19.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
32
Exact Mass:
1176.784g/mol
Monoisotopic Mass:
1176.784g/mol
Topological Polar Surface Area:
186A^2
Heavy Atom Count:
85
Formal Charge:
0
Complexity:
1730
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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