4-ISOBUTYLBENZOIC 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 4-ISOBUTYLBENZOIC ACID

Structure Search

SMILES

CC(C)CC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=VUBBCFWWSKOHTH-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(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 `Sat Dec 16 13:06:31 GMT 2023` Edited by `admin` on `Sat Dec 16 13:06:31 GMT 2023`
Record UNII	599E5B23F1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-ISOBUTYLBENZOIC ACID

Systematic Name

English

BENZOIC ACID, P-ISOBUTYL-

Common Name

English

BENZOIC ACID, 4-(2-METHYLPROPYL)-

Systematic Name

English

4-(2-METHYLPROPYL)BENZOIC ACID

Systematic Name

English

P-(2-METHYLPROPYL)BENZOIC ACID

Systematic Name

English

P-ISOBUTYLBENZOIC ACID

Systematic Name

English

NSC-168984

Code

English

Code System Code Type Description

CAS

38861-88-0

Created by admin on Sat Dec 16 13:06:31 GMT 2023 , Edited by admin on Sat Dec 16 13:06:31 GMT 2023

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FDA UNII

599E5B23F1

Created by admin on Sat Dec 16 13:06:31 GMT 2023 , Edited by admin on Sat Dec 16 13:06:31 GMT 2023

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EPA CompTox

DTXSID00192116

Created by admin on Sat Dec 16 13:06:31 GMT 2023 , Edited by admin on Sat Dec 16 13:06:31 GMT 2023

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NSC

168984

Created by admin on Sat Dec 16 13:06:31 GMT 2023 , Edited by admin on Sat Dec 16 13:06:31 GMT 2023

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PUBCHEM

38111

Created by admin on Sat Dec 16 13:06:31 GMT 2023 , Edited by admin on Sat Dec 16 13:06:31 GMT 2023

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