6-Nitrophthalide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5NO4
Molecular Weight	179.1296
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Nitrophthalide

Structure Search

SMILES

[O-][N+](=O)C1=CC2=C(COC2=O)C=C1

InChI

InChIKey=RNWGZXAHUPFXLL-UHFFFAOYSA-N

InChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula	C8H5NO4
Molecular Weight	179.1296
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 `Mon Mar 31 23:23:03 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:03 GMT 2025`
Record UNII	35QB7T32YC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-11332

Preferred Name

English

6-Nitrophthalide

Systematic Name

English

1(3H)-Isobenzofuranone, 6-nitro-

Systematic Name

English

Phthalide, 6-nitro-

Systematic Name

English

6-Nitro-1(3H)-isobenzofuranone

Systematic Name

English

Code System Code Type Description

CAS

610-93-5

Created by admin on Mon Mar 31 23:23:03 GMT 2025 , Edited by admin on Mon Mar 31 23:23:03 GMT 2025

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PUBCHEM

223584

Created by admin on Mon Mar 31 23:23:03 GMT 2025 , Edited by admin on Mon Mar 31 23:23:03 GMT 2025

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FDA UNII

35QB7T32YC

Created by admin on Mon Mar 31 23:23:03 GMT 2025 , Edited by admin on Mon Mar 31 23:23:03 GMT 2025

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NSC

11332

Created by admin on Mon Mar 31 23:23:03 GMT 2025 , Edited by admin on Mon Mar 31 23:23:03 GMT 2025

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EPA CompTox

DTXSID00870684

Created by admin on Mon Mar 31 23:23:03 GMT 2025 , Edited by admin on Mon Mar 31 23:23:03 GMT 2025

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