Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

CAS
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CAS
94159-70-3
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Purity
96%
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Catalog Number

ACM94159703

Product Name

Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

Structure

Structure

CAS

94159-70-3

Category

Heterocyclic Organic Compound

Synonyms

EINECS 303-250-1, CID3023861, Potassium 3-sulphonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, 94159-70-3

IUPAC Name

potassium 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]propane-1-sulfonate

Molecular Weight

438.619840 [g/mol]

Molecular Formula

C20H31KO6S

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCS(=O)(=O)[O-].[K+]

InChI Key

NWVSKTMYVSTIIO-UHFFFAOYSA-M

EC Number

303-250-1

Exact Mass

438.14800

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The molecular formula is C20H31KO6S.

What is the molecular weight of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The molecular weight is 438.6 g/mol.

What is the IUPAC Name of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The IUPAC Name is potassium;3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]propane-1-sulfonate.

What is the InChIKey of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The InChIKey is NWVSKTMYVSTIIO-UHFFFAOYSA-M.

How many hydrogen bond donor counts does Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate have?

It has 1 hydrogen bond donor count.

What is the exact mass of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The exact mass is 438.14784136 g/mol.

How many rotatable bond counts does Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate have?

It has 10 rotatable bond counts.

What is the topological polar surface area of Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?

The topological polar surface area is 112?2.

Does Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate have any defined atom stereocenter count?

No, it does not have any defined atom stereocenter count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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