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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16O3
Molecular Weight 256.2964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-benzyloxy-3-hydroxymethylacetophenone

SMILES

CC(=O)C1=CC=C(OCC2=CC=CC=C2)C(CO)=C1

InChI

InChIKey=PNEFCQBLUJPRPQ-UHFFFAOYSA-N
InChI=1S/C16H16O3/c1-12(18)14-7-8-16(15(9-14)10-17)19-11-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H16O3
Molecular Weight 256.2964
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 19:49:22 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:22 GMT 2025
Record UNII
7FF4YPV39Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-benzyloxy-3-hydroxymethylacetophenone
Systematic Name English
1-[3-(Hydroxymethyl)-4-(phenylmethoxy)phenyl]ethanone
Preferred Name English
Code System Code Type Description
CAS
39235-59-1
Created by admin on Wed Apr 02 19:49:22 GMT 2025 , Edited by admin on Wed Apr 02 19:49:22 GMT 2025
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FDA UNII
7FF4YPV39Z
Created by admin on Wed Apr 02 19:49:22 GMT 2025 , Edited by admin on Wed Apr 02 19:49:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID701214966
Created by admin on Wed Apr 02 19:49:22 GMT 2025 , Edited by admin on Wed Apr 02 19:49:22 GMT 2025
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PUBCHEM
12969323
Created by admin on Wed Apr 02 19:49:22 GMT 2025 , Edited by admin on Wed Apr 02 19:49:22 GMT 2025
PRIMARY
Related Record Type Details
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