1-(6-NITRO-1,3-BENZODIOXOL-5-YL)ETHANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(6-NITRO-1,3-BENZODIOXOL-5-YL)ETHANONE

Structure Search

SMILES

CC(=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O

InChI

InChIKey=BQONDGIXVHVIIR-UHFFFAOYSA-N

InChI=1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H7NO5
Molecular Weight	209.1556
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 19:05:41 GMT 2025` Edited by `admin` on `Tue Apr 01 19:05:41 GMT 2025`
Record UNII	QL3R95RDL8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(6-NITRO-1,3-BENZODIOXOL-5-YL)ETHAN-1-ONE

Preferred Name

English

1-(6-NITRO-1,3-BENZODIOXOL-5-YL)ETHANONE

Systematic Name

English

ETHANONE, 1-(6-NITRO-1,3-BENZODIOXOL-5-YL)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

260-010-8

Created by admin on Tue Apr 01 19:05:41 GMT 2025 , Edited by admin on Tue Apr 01 19:05:41 GMT 2025

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FDA UNII

QL3R95RDL8

Created by admin on Tue Apr 01 19:05:41 GMT 2025 , Edited by admin on Tue Apr 01 19:05:41 GMT 2025

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EPA CompTox

DTXSID40204666

Created by admin on Tue Apr 01 19:05:41 GMT 2025 , Edited by admin on Tue Apr 01 19:05:41 GMT 2025

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PUBCHEM

92022

Created by admin on Tue Apr 01 19:05:41 GMT 2025 , Edited by admin on Tue Apr 01 19:05:41 GMT 2025

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CAS

56136-84-6

Created by admin on Tue Apr 01 19:05:41 GMT 2025 , Edited by admin on Tue Apr 01 19:05:41 GMT 2025

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