Potassium p-tert-butylbenzoate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13O2.K
Molecular Weight	216.318
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Potassium p-tert-butylbenzoate

Structure Search

SMILES

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

InChI

InChIKey=GAJCVIMKCAZHEO-UHFFFAOYSA-M

InChI=1S/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C11H13O2
Molecular Weight	177.2197
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:32:50 GMT 2023` Edited by `admin` on `Sat Dec 16 12:32:50 GMT 2023`
Record UNII	KYK2S8C3SB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Potassium p-tert-butylbenzoate

Systematic Name

English

Benzoic acid, 4-(1,1-dimethylethyl)-, potassium salt (1:1)

Systematic Name

English

Benzoic acid, 4-(1,1-dimethylethyl)-, potassium salt

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

240-587-2

Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023

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CAS

16518-26-6

Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023

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EPA CompTox

DTXSID1066073

Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023

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FDA UNII

KYK2S8C3SB

Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023

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PUBCHEM

23672309

Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023

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Related Record Type Details


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4-tert-butylbenzoic acid

PARENT -> SALT/SOLVATE

Amount: