Allyl nicotinate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Allyl nicotinate

Structure Search

SMILES

C=CCOC(=O)C1=CC=CN=C1

InChI

InChIKey=SJUZMXLTUGZSSQ-UHFFFAOYSA-N

InChI=1S/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2

HIDE SMILES / InChI

Molecular Formula	C9H9NO2
Molecular Weight	163.1733
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 `Wed Apr 02 17:19:06 GMT 2025` Edited by `admin` on `Wed Apr 02 17:19:06 GMT 2025`
Record UNII	WBD8BBF8JK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Allyl nicotinate

Systematic Name

English

2-Propen-1-yl 3-pyridinecarboxylate

Preferred Name

English

3-Pyridinecarboxylic acid, 2-propenyl ester

Systematic Name

English

Nicotinic acid, allyl ester

Systematic Name

English

3-Pyridinecarboxylic acid, 2-propen-1-yl ester

Systematic Name

English

Code System Code Type Description

CAS

25635-12-5

Created by admin on Wed Apr 02 17:19:06 GMT 2025 , Edited by admin on Wed Apr 02 17:19:06 GMT 2025

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FDA UNII

WBD8BBF8JK

Created by admin on Wed Apr 02 17:19:06 GMT 2025 , Edited by admin on Wed Apr 02 17:19:06 GMT 2025

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PUBCHEM

117569

Created by admin on Wed Apr 02 17:19:06 GMT 2025 , Edited by admin on Wed Apr 02 17:19:06 GMT 2025

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ECHA (EC/EINECS)

247-141-6

Created by admin on Wed Apr 02 17:19:06 GMT 2025 , Edited by admin on Wed Apr 02 17:19:06 GMT 2025

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EPA CompTox

DTXSID20180313

Created by admin on Wed Apr 02 17:19:06 GMT 2025 , Edited by admin on Wed Apr 02 17:19:06 GMT 2025

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