4-tert-butylbenzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C1=CC=C(C=C1)C(O)=O

InChI

InChIKey=KDVYCTOWXSLNNI-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition.	2004 Nov 12	15595542
Host-guest assembly of ligand systems for metal ion complexation. Synergistic solvent extraction of copper(II) and silver(I) by 1,4,8,11-tetrabenzyl-1,4,8,11-tetraazacyclodecane in combination with carboxylic acids.	2004 Nov 21	15540125
Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.	2006 Jul	16775769
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:11:53 GMT 2023` Edited by `admin` on `Sat Dec 16 01:11:53 GMT 2023`
Record UNII	43Z7T3VN0R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-tert-butylbenzoic acid

Systematic Name

English

NSC-4802

Code

English

p-tert-Butylphenylcarboxylic acid

Common Name

English

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

Systematic Name

English

p-tert-Butylbenzoic acid

Common Name

English

4-t-Butylbenzoic acid [INCI]

Common Name

English

p-t-Butylbenzoic acid

Common Name

English

BBA

Brand Name

English

4-t-Butylbenzoate

Systematic Name

English

4-t-Butylbenzoic acid

Official Name

English

4-(1,1-Dimethylethyl)benzoic acid

Systematic Name

English

p-tert-Butylbenzoic acid [HSDB]

Common Name

English

Benzoic acid, p-tert-butyl-

Common Name

English

Code System Code Type Description

MESH

C034290