U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 Sat Dec 16 19:48:27 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:27 GMT 2023
Record UNII
VT5XC5P433
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Iodo-4-methylbenzoic acid
Systematic Name English
Benzoic acid, 3-iodo-4-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
VT5XC5P433
Created by admin on Sat Dec 16 19:48:27 GMT 2023 , Edited by admin on Sat Dec 16 19:48:27 GMT 2023
PRIMARY
PUBCHEM
621640
Created by admin on Sat Dec 16 19:48:27 GMT 2023 , Edited by admin on Sat Dec 16 19:48:27 GMT 2023
PRIMARY
CAS
82998-57-0
Created by admin on Sat Dec 16 19:48:27 GMT 2023 , Edited by admin on Sat Dec 16 19:48:27 GMT 2023
PRIMARY