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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2O6
Molecular Weight 226.143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DINITRO-O-TOLUIC ACID

SMILES

CC1=C(C=C(C=C1C(O)=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=CDVNZMKTJIBBBV-UHFFFAOYSA-N
InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6N2O6
Molecular Weight 226.143
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
2-Methyl-3,5-dinitro-benzoic acid.
2009 Oct 23
catena-Poly[[(2-methyl-benzoato-κO,O')sodium]-di-μ-aqua-κO:O'].
2010 Mar 27
Poly[(μ(6)-2-methyl-3,5-dinitro-benzoato)potassium].
2010 May 8
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:10 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:10 GMT 2023
Record UNII
025937BG8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DINITRO-O-TOLUIC ACID
Common Name English
NSC-168527
Code English
O-TOLUIC ACID, 3,5-DINITRO-
Common Name English
2-METHYL-3,5-DINITROBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-METHYL-3,5-DINITRO-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID3067360
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-880-7
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY
NSC
168527
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY
PUBCHEM
98824
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY
FDA UNII
025937BG8P
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY
CAS
28169-46-2
Created by admin on Fri Dec 15 18:32:10 GMT 2023 , Edited by admin on Fri Dec 15 18:32:10 GMT 2023
PRIMARY