M-TERT-BUTYLBENZOIC ACID

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NCATS

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 of M-TERT-BUTYLBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=PWEJHEZAHNQSHP-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:02:02 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:02 GMT 2025`
Record UNII	BF4ZW1Y08W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-407552

Preferred Name

English

M-TERT-BUTYLBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-(1,1-DIMETHYLETHYL)-

Systematic Name

English

BENZOIC ACID, M-TERT-BUTYL-

Systematic Name

English

3-TERT-BUTYLBENZOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

7498-54-6

Created by admin on Mon Mar 31 22:02:02 GMT 2025 , Edited by admin on Mon Mar 31 22:02:02 GMT 2025

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PUBCHEM

139037

Created by admin on Mon Mar 31 22:02:02 GMT 2025 , Edited by admin on Mon Mar 31 22:02:02 GMT 2025

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EPA CompTox

DTXSID30225941

Created by admin on Mon Mar 31 22:02:02 GMT 2025 , Edited by admin on Mon Mar 31 22:02:02 GMT 2025

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FDA UNII

BF4ZW1Y08W

Created by admin on Mon Mar 31 22:02:02 GMT 2025 , Edited by admin on Mon Mar 31 22:02:02 GMT 2025

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NSC

407552

Created by admin on Mon Mar 31 22:02:02 GMT 2025 , Edited by admin on Mon Mar 31 22:02:02 GMT 2025

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