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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7IO2
Molecular Weight 262.0445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Iodo-4-methylbenzoic acid

SMILES

CC1=C(I)C=C(C=C1)C(O)=O

InChI

InChIKey=LDDHMKANNXWUAK-UHFFFAOYSA-N
InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H7IO2
Molecular Weight 262.0445
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 17:19:07 GMT 2025
Edited
by admin
on Wed Apr 02 17:19:07 GMT 2025
Record UNII
VT5XC5P433
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 3-iodo-4-methyl-
Preferred Name English
3-Iodo-4-methylbenzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
VT5XC5P433
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID301003050
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
PUBCHEM
621640
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
CAS
82998-57-0
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY