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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O3Si
Molecular Weight 248.3498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]benzoate

SMILES

COC(=O)C1=CC=C(C#C[Si](C)(C)C)C(O)=C1

InChI

InChIKey=IGKWQEJDFVUAME-UHFFFAOYSA-N
InChI=1S/C13H16O3Si/c1-16-13(15)11-6-5-10(12(14)9-11)7-8-17(2,3)4/h5-6,9,14H,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H16O3Si
Molecular Weight 248.3498
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 15:23:36 GMT 2025
Edited
by admin
on Wed Apr 02 15:23:36 GMT 2025
Record UNII
B8EQ7AQV2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 3-hydroxy-4-[(trimethylsilyl)ethynyl]-, methyl ester
Preferred Name English
Methyl 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]benzoate
Systematic Name English
Methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate
Systematic Name English
Benzoic acid, 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
478169-68-5
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY
FDA UNII
B8EQ7AQV2R
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY
PUBCHEM
22481756
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY