HEXYL MANDELATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H20O3
Molecular Weight	236.3068
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXYL MANDELATE

Structure Search

SMILES

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

InChI

InChIKey=WTWKQARYVVXCNG-UHFFFAOYSA-N

InChI=1S/C14H20O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h5-7,9-10,13,15H,2-4,8,11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H20O3
Molecular Weight	236.3068
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:24:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:20 GMT 2025`
Record UNII	KYP36AE5Y7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-13525

Preferred Name

English

HEXYL MANDELATE

Common Name

English

NSC-521234

Code

English

Code System Code Type Description

NSC

521234

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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FDA UNII

KYP36AE5Y7

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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CAS

5431-31-2

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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NSC

13525

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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EPA CompTox

DTXSID401031636

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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PUBCHEM

21565

Created by admin on Mon Mar 31 22:24:20 GMT 2025 , Edited by admin on Mon Mar 31 22:24:20 GMT 2025

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