3'-NITRO-4'-METHYLACETOPHENONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3'-NITRO-4'-METHYLACETOPHENONE

Structure Search

SMILES

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

InChI

InChIKey=YRBBMDOBWRUMEZ-UHFFFAOYSA-N

InChI=1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO3
Molecular Weight	179.1727
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 19:58:57 GMT 2025` Edited by `admin` on `Tue Apr 01 19:58:57 GMT 2025`
Record UNII	Q5YGX5BNW5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3'-NITRO-4'-METHYLACETOPHENONE

Systematic Name

English

NSC-617

Preferred Name

English

4'-METHYL-3'-NITROACETOPHENONE

Systematic Name

English

1-(4-METHYL-3-NITROPHENYL)ETHANONE

Systematic Name

English

1-(4-METHYL-3-NITROPHENYL)ETHAN-1-ONE

Systematic Name

English

ETHANONE, 1-(4-METHYL-3-NITROPHENYL)-

Systematic Name

English

Code System Code Type Description

NSC

617

Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025

PRIMARY

FDA UNII

Q5YGX5BNW5

Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025

PRIMARY

EPA CompTox

DTXSID9063790

Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025

PRIMARY

CAS

5333-27-7

Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025

PRIMARY

PUBCHEM

79246

Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025

PRIMARY