3-Nitro-2,6-xylenol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO3
Molecular Weight	167.162
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Nitro-2,6-xylenol

Structure Search

SMILES

CC1=CC=C(C(C)=C1O)[N+]([O-])=O

InChI

InChIKey=TZASZCQVZPLXHP-UHFFFAOYSA-N

InChI=1S/C8H9NO3/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4,10H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H9NO3
Molecular Weight	167.162
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 19:11:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:11:20 GMT 2025`
Record UNII	CBP8NRP42T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Nitro-2,6-xylenol

Systematic Name

English

2,6-Dimethyl-3-nitrophenol

Preferred Name

English

Phenol, 2,6-dimethyl-3-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

CBP8NRP42T

Created by admin on Tue Apr 01 19:11:20 GMT 2025 , Edited by admin on Tue Apr 01 19:11:20 GMT 2025

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EPA CompTox

DTXSID20220223

Created by admin on Tue Apr 01 19:11:20 GMT 2025 , Edited by admin on Tue Apr 01 19:11:20 GMT 2025

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PUBCHEM

81476

Created by admin on Tue Apr 01 19:11:20 GMT 2025 , Edited by admin on Tue Apr 01 19:11:20 GMT 2025

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CAS

6994-63-4

Created by admin on Tue Apr 01 19:11:20 GMT 2025 , Edited by admin on Tue Apr 01 19:11:20 GMT 2025

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ECHA (EC/EINECS)

230-267-0

Created by admin on Tue Apr 01 19:11:20 GMT 2025 , Edited by admin on Tue Apr 01 19:11:20 GMT 2025

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