3,5-Dinitro-4-hydroxyphenacetic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6N2O7
Molecular Weight	242.1424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Dinitro-4-hydroxyphenacetic acid

Structure Search

SMILES

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

InChI

InChIKey=MLVYQQLUGFSXQH-UHFFFAOYSA-N

InChI=1S/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H6N2O7
Molecular Weight	242.1424
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 20:13:55 GMT 2025` Edited by `admin` on `Tue Apr 01 20:13:55 GMT 2025`
Record UNII	R6N6M4KJ4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Dinitro-4-hydroxyphenacetic acid

Common Name

English

NSC-151241

Preferred Name

English

4-Hydroxy-3,5-dinitrophenacetyl

Common Name

English

4-Hydroxy-3,5-dinitrobenzeneacetic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10146620

Created by admin on Tue Apr 01 20:13:55 GMT 2025 , Edited by admin on Tue Apr 01 20:13:55 GMT 2025

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FDA UNII

R6N6M4KJ4N

Created by admin on Tue Apr 01 20:13:55 GMT 2025 , Edited by admin on Tue Apr 01 20:13:55 GMT 2025

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CAS

10463-37-3

Created by admin on Tue Apr 01 20:13:55 GMT 2025 , Edited by admin on Tue Apr 01 20:13:55 GMT 2025

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NSC

151241

Created by admin on Tue Apr 01 20:13:55 GMT 2025 , Edited by admin on Tue Apr 01 20:13:55 GMT 2025

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PUBCHEM

98596

Created by admin on Tue Apr 01 20:13:55 GMT 2025 , Edited by admin on Tue Apr 01 20:13:55 GMT 2025

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