3,6-Dinitrophthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4N2O8
Molecular Weight	256.126
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,6-Dinitrophthalic acid

Structure Search

SMILES

OC(=O)C1=C(C=CC(=C1C(O)=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=MZDSOZBFTCRKNT-UHFFFAOYSA-N

InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C8H4N2O8
Molecular Weight	256.126
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 19:15:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:15:20 GMT 2025`
Record UNII	ZW8S2B8R29
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,6-Dinitrophthalic acid

Systematic Name

English

1,2-Benzenedicarboxylic acid, 3,6-dinitro-

Preferred Name

English

3,6-Dinitro-1,2-benzenedicarboxylic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

75305

Created by admin on Tue Apr 01 19:15:20 GMT 2025 , Edited by admin on Tue Apr 01 19:15:20 GMT 2025

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CAS

2300-16-5

Created by admin on Tue Apr 01 19:15:20 GMT 2025 , Edited by admin on Tue Apr 01 19:15:20 GMT 2025

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FDA UNII

ZW8S2B8R29

Created by admin on Tue Apr 01 19:15:20 GMT 2025 , Edited by admin on Tue Apr 01 19:15:20 GMT 2025

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EPA CompTox

DTXSID50177554

Created by admin on Tue Apr 01 19:15:20 GMT 2025 , Edited by admin on Tue Apr 01 19:15:20 GMT 2025

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ECHA (EC/EINECS)

218-950-1

Created by admin on Tue Apr 01 19:15:20 GMT 2025 , Edited by admin on Tue Apr 01 19:15:20 GMT 2025

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