O-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 O-TERT-BUTYLBENZOIC ACID

Structure Search

SMILES

CC(C)(C)C1=CC=CC=C1C(O)=O

InChI

InChIKey=ZDFKSZDMHJHQHS-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(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 21:53:15 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:15 GMT 2025`
Record UNII	10J83R40WM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-86592

Preferred Name

English

O-TERT-BUTYLBENZOIC ACID

Systematic Name

English

BENZOIC ACID, O-TERT-BUTYL-

Systematic Name

English

BENZOIC ACID, 2-(1,1-DIMETHYLETHYL)-

Systematic Name

English

2-TERT-BUTYLBENZOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

10J83R40WM

Created by admin on Mon Mar 31 21:53:15 GMT 2025 , Edited by admin on Mon Mar 31 21:53:15 GMT 2025

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CAS

1077-58-3

Created by admin on Mon Mar 31 21:53:15 GMT 2025 , Edited by admin on Mon Mar 31 21:53:15 GMT 2025

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EPA CompTox

DTXSID50901593

Created by admin on Mon Mar 31 21:53:15 GMT 2025 , Edited by admin on Mon Mar 31 21:53:15 GMT 2025

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PUBCHEM

136850

Created by admin on Mon Mar 31 21:53:15 GMT 2025 , Edited by admin on Mon Mar 31 21:53:15 GMT 2025

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NSC

86592

Created by admin on Mon Mar 31 21:53:15 GMT 2025 , Edited by admin on Mon Mar 31 21:53:15 GMT 2025

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