4-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 4-Butylbenzoic acid

Structure Search

SMILES

CCCCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=JFKUBRAOUZEZSL-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(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 `Tue Apr 01 18:51:22 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:22 GMT 2025`
Record UNII	7QP4538G5R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Butylbenzoic acid

Systematic Name

English

Benzoic acid, 4-butyl-

Preferred Name

English

Code System Code Type Description

PUBCHEM

88631

Created by admin on Tue Apr 01 18:51:22 GMT 2025 , Edited by admin on Tue Apr 01 18:51:22 GMT 2025

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ECHA (EC/EINECS)

243-940-9

Created by admin on Tue Apr 01 18:51:22 GMT 2025 , Edited by admin on Tue Apr 01 18:51:22 GMT 2025

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EPA CompTox

DTXSID8066638

Created by admin on Tue Apr 01 18:51:22 GMT 2025 , Edited by admin on Tue Apr 01 18:51:22 GMT 2025

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FDA UNII

7QP4538G5R

Created by admin on Tue Apr 01 18:51:22 GMT 2025 , Edited by admin on Tue Apr 01 18:51:22 GMT 2025

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CAS

20651-71-2

Created by admin on Tue Apr 01 18:51:22 GMT 2025 , Edited by admin on Tue Apr 01 18:51:22 GMT 2025

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