4-HEPTYLBENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20O2
Molecular Weight	220.3074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HEPTYLBENZOIC ACID

Structure Search

SMILES

CCCCCCCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=VSUKEWPHURLYTK-UHFFFAOYSA-N

InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C14H20O2
Molecular Weight	220.3074
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 17:09:49 GMT 2025` Edited by `admin` on `Tue Apr 01 17:09:49 GMT 2025`
Record UNII	SE3Y941HMO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOIC ACID, 4-HEPTYL-

Preferred Name

English

4-HEPTYLBENZOIC ACID

Systematic Name

English

P-HEPTYLBENZOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

SE3Y941HMO

Created by admin on Tue Apr 01 17:09:49 GMT 2025 , Edited by admin on Tue Apr 01 17:09:49 GMT 2025

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EPA CompTox

DTXSID9068089

Created by admin on Tue Apr 01 17:09:49 GMT 2025 , Edited by admin on Tue Apr 01 17:09:49 GMT 2025

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ECHA (EC/EINECS)

253-894-1

Created by admin on Tue Apr 01 17:09:49 GMT 2025 , Edited by admin on Tue Apr 01 17:09:49 GMT 2025

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PUBCHEM

170036

Created by admin on Tue Apr 01 17:09:49 GMT 2025 , Edited by admin on Tue Apr 01 17:09:49 GMT 2025

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CAS

38350-87-7

Created by admin on Tue Apr 01 17:09:49 GMT 2025 , Edited by admin on Tue Apr 01 17:09:49 GMT 2025

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