3,5-Xylenol, 4-nitro-

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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 3,5-Xylenol, 4-nitro-

Structure Search

SMILES

CC1=CC(O)=CC(C)=C1[N+]([O-])=O

InChI

InChIKey=MMLPWOHLKRXZJA-UHFFFAOYSA-N

InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/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 `Sat Dec 16 12:56:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:56:55 GMT 2023`
Record UNII	C349M8YZL4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Xylenol, 4-nitro-

Systematic Name

English

Phenol, 3,5-dimethyl-4-nitro-

Systematic Name

English

3,5-Dimethyl-4-nitrophenol

Systematic Name

English

NSC-2985

Code

English

Code System Code Type Description

PUBCHEM

138466

Created by admin on Sat Dec 16 12:56:55 GMT 2023 , Edited by admin on Sat Dec 16 12:56:55 GMT 2023

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FDA UNII

C349M8YZL4

Created by admin on Sat Dec 16 12:56:55 GMT 2023 , Edited by admin on Sat Dec 16 12:56:55 GMT 2023

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NSC

2985

Created by admin on Sat Dec 16 12:56:55 GMT 2023 , Edited by admin on Sat Dec 16 12:56:55 GMT 2023

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CAS

5344-97-8

Created by admin on Sat Dec 16 12:56:55 GMT 2023 , Edited by admin on Sat Dec 16 12:56:55 GMT 2023

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EPA CompTox

DTXSID50201606

Created by admin on Sat Dec 16 12:56:55 GMT 2023 , Edited by admin on Sat Dec 16 12:56:55 GMT 2023

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