5-Methyl-5-nitro-2-hexanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H13NO3
Molecular Weight	159.183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Methyl-5-nitro-2-hexanone

Structure Search

SMILES

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

InChI

InChIKey=QWHNMIXUSPUHGO-UHFFFAOYSA-N

InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H13NO3
Molecular Weight	159.183
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 `Wed Apr 02 12:22:14 GMT 2025` Edited by `admin` on `Wed Apr 02 12:22:14 GMT 2025`
Record UNII	XJK9DW9TSC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-Methyl-5-nitrohexan-2-one

Preferred Name

English

5-Methyl-5-nitro-2-hexanone

Systematic Name

English

NSC-16186

Code

English

2-Hexanone, 5-methyl-5-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

XJK9DW9TSC

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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EPA CompTox

DTXSID40196698

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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CAS

4604-49-3

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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PUBCHEM

78349

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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ECHA (EC/EINECS)

225-006-2

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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NSC

16186

Created by admin on Wed Apr 02 12:22:14 GMT 2025 , Edited by admin on Wed Apr 02 12:22:14 GMT 2025

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