1-(4-Nitrophenyl)-1,2-propanedione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7NO4
Molecular Weight	193.1562
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4-Nitrophenyl)-1,2-propanedione

Structure Search

SMILES

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

InChI

InChIKey=WCQBWJSIZYUMDJ-UHFFFAOYSA-N

InChI=1S/C9H7NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H7NO4
Molecular Weight	193.1562
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 19:59:16 GMT 2025` Edited by `admin` on `Tue Apr 01 19:59:16 GMT 2025`
Record UNII	LKU5UFK9DJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-65586

Preferred Name

English

1-(4-Nitrophenyl)-1,2-propanedione

Systematic Name

English

1,2-Propanedione, 1-(p-nitrophenyl)-

Systematic Name

English

1,2-Propanedione, 1-(4-nitrophenyl)-

Systematic Name

English

1-(4-Nitrophenyl)propane-1,2-dione

Systematic Name

English

Code System Code Type Description

PUBCHEM

96288

Created by admin on Tue Apr 01 19:59:16 GMT 2025 , Edited by admin on Tue Apr 01 19:59:16 GMT 2025

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NSC

65586

Created by admin on Tue Apr 01 19:59:16 GMT 2025 , Edited by admin on Tue Apr 01 19:59:16 GMT 2025

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FDA UNII

LKU5UFK9DJ

Created by admin on Tue Apr 01 19:59:16 GMT 2025 , Edited by admin on Tue Apr 01 19:59:16 GMT 2025

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EPA CompTox

DTXSID50977177

Created by admin on Tue Apr 01 19:59:16 GMT 2025 , Edited by admin on Tue Apr 01 19:59:16 GMT 2025

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CAS

6159-25-7

Created by admin on Tue Apr 01 19:59:16 GMT 2025 , Edited by admin on Tue Apr 01 19:59:16 GMT 2025

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