CAS
941596-78-7 Purity
96%
941596-78-7 Purity
96%
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Potassium 3-sulfonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
CAS
94159-70-3
Catalog Number
ACM94159703
Category
Other Products
Molecular Weight
438.619840 [g/mol]
Molecular Formula
C20H31KO6S
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Specification
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
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
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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