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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9ClO3
Molecular Weight 212.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2H-1,3-Benzodioxol-5-yl)-3-chloropropan-1-one

SMILES

ClCCC(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=LVAXXJRNMOQLBL-UHFFFAOYSA-N
InChI=1S/C10H9ClO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3-4,6H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(2H-1,3-Benzodioxol-5-yl)-3-chloropropan-1-one
Systematic Name English
1-Benzo[1,3]dioxol-5-yl-3-chloro-propan-1-one
Systematic Name English
Code System Code Type Description
FDA UNII
ZB688JXS6A
Created by admin on Sat Dec 16 19:51:29 GMT 2023 , Edited by admin on Sat Dec 16 19:51:29 GMT 2023
PRIMARY
PUBCHEM
270594
Created by admin on Sat Dec 16 19:51:29 GMT 2023 , Edited by admin on Sat Dec 16 19:51:29 GMT 2023
PRIMARY
NIH
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