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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy-1-(hydroxymethyl)ethyl benzenebutanoate

SMILES

OCC(CO)OC(=O)CCCC1=CC=CC=C1

InChI

InChIKey=QDYZDAAHPSSQHH-UHFFFAOYSA-N
InChI=1S/C13H18O4/c14-9-12(10-15)17-13(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzenebutanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester
Preferred Name English
2-Hydroxy-1-(hydroxymethyl)ethyl benzenebutanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
21615212
Created by admin on Wed Apr 02 14:32:01 GMT 2025 , Edited by admin on Wed Apr 02 14:32:01 GMT 2025
PRIMARY
FDA UNII
CXA759R3VT
Created by admin on Wed Apr 02 14:32:01 GMT 2025 , Edited by admin on Wed Apr 02 14:32:01 GMT 2025
PRIMARY
CAS
1443417-17-1
Created by admin on Wed Apr 02 14:32:01 GMT 2025 , Edited by admin on Wed Apr 02 14:32:01 GMT 2025
PRIMARY
NIH
NCATS
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