Topanol CA

CAT: 0931-T21282-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T21282-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1843-03-4

Target

Others

Related Pathways

Others

Purity

0.9953

Bioactivity

Topanol CA is an antioxidant that can be used as a stabilizer in resins and light-colored rubber products.

Smiles

CC(CC(c1cc(c(O)cc1C)C(C)(C)C)c1cc(c(O)cc1C)C(C)(C)C)c1cc(c(O)cc1C)C(C)(C)C

Molecular Formula

C37H52O3

Molecular Weight

544.81

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)

CAS Number	1843-03-4
PubChem CID	92905
IUPAC Name	4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
Molecular Formula	C37H52O3
Molecular Weight	544.8
XLogP	11.5
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	758

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

CAS: 1843-03-4

CID: 92905

Formula: C37H52O3

MW: 544.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.8
XLogP3	11.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	544.39164552
Monoisotopic Mass	544.39164552
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	758
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TYD-03274-01	CA-CoA
T21509-01	CA 074
T86741-01	Ir-CA
T89402-01	TCP-MP-CA
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Alternative Products

Catalog	Name
GTR19216565-01	Topanol CA

Topanol CA

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