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Details

Stereochemistry RACEMIC
Molecular Formula C16H20F2O3
Molecular Weight 298.325
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2,4-Difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl 2-methylpropanoate

SMILES

CC(C)C(=O)OCC(CO)CC(=C)C1=C(F)C=C(F)C=C1

InChI

InChIKey=JACXDHBRMMEIGY-UHFFFAOYSA-N
InChI=1S/C16H20F2O3/c1-10(2)16(20)21-9-12(8-19)6-11(3)14-5-4-13(17)7-15(14)18/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H20F2O3
Molecular Weight 298.325
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:25 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:25 GMT 2025
Record UNII
JMB532BKH2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanoic acid, 2-methyl-, 4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl ester
Preferred Name English
4-(2,4-Difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl 2-methylpropanoate
Systematic Name English
Code System Code Type Description
FDA UNII
JMB532BKH2
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY
PUBCHEM
11748525
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY
CAS
2704029-25-2
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY