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Topanol CA

CAT: 1410-M27385-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M27385-03Size:10 mg
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Description
Topanol CA is an antioxidant that can be used as a stabilizer in resins and light-colored rubber products.
CAS Number
1843-03-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
544.82
Molecular Formula
C37H52O3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CAS Number1843-03-4
PubChem CID92905
IUPAC Name4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
Molecular FormulaC37H52O3
Molecular Weight544.8
XLogP11.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity758
SMILES
CC1=CC(=C(C=C1C(C)CC(C2=CC(=C(C=C2C)O)C(C)(C)C)C3=CC(=C(C=C3C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3
InChIKey
PRWJPWSKLXYEPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CAS: 1843-03-4
CID: 92905
Formula: C37H52O3
MW: 544.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.8
XLogP311.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass544.39164552
Monoisotopic Mass544.39164552
Topological Polar Surface Area60.7 Ų
Heavy Atom Count40
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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