5-Nitroguaiacol acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1OC(C)=O)[N+]([O-])=O

InChI

InChIKey=XBFBLYSAWSLPRY-UHFFFAOYSA-N

InChI=1S/C9H9NO5/c1-6(11)15-9-5-7(10(12)13)3-4-8(9)14-2/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO5
Molecular Weight	211.1715
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 16:18:41 GMT 2025` Edited by `admin` on `Wed Apr 02 16:18:41 GMT 2025`
Record UNII	2TTB78PEL2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-Methoxy-5-nitrophenyl) acetate

Preferred Name

English

5-Nitroguaiacol acetate

Common Name

English

Phenol, 2-methoxy-5-nitro-, 1-acetate

Systematic Name

English

2-Methoxy-5-nitrophenyl acetate

Systematic Name

English

Phenol, 2-methoxy-5-nitro-, acetate (ester)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80201851

Created by admin on Wed Apr 02 16:18:41 GMT 2025 , Edited by admin on Wed Apr 02 16:18:41 GMT 2025

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CAS

53606-41-0

Created by admin on Wed Apr 02 16:18:41 GMT 2025 , Edited by admin on Wed Apr 02 16:18:41 GMT 2025

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FDA UNII

2TTB78PEL2

Created by admin on Wed Apr 02 16:18:41 GMT 2025 , Edited by admin on Wed Apr 02 16:18:41 GMT 2025

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PUBCHEM

40827

Created by admin on Wed Apr 02 16:18:41 GMT 2025 , Edited by admin on Wed Apr 02 16:18:41 GMT 2025

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