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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17NO3
Molecular Weight 247.2897
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAFROLE III

SMILES

O=C(CCN1CCCC1)C2=CC=C3OCOC3=C2

InChI

InChIKey=YBUWNTDJQFATRD-UHFFFAOYSA-N
InChI=1S/C14H17NO3/c16-12(5-8-15-6-1-2-7-15)11-3-4-13-14(9-11)18-10-17-13/h3-4,9H,1-2,5-8,10H2

HIDE SMILES / InChI

Molecular Formula C14H17NO3
Molecular Weight 247.2897
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 Fri Dec 15 19:10:11 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:11 GMT 2023
Record UNII
V2XPB4FQOR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAFROLE III
Common Name English
PROPIOPHENONE, 3',4'-(METHYLENEDIOXY)-3-(1-PYRROLIDINYL)-
Systematic Name English
3-(1-PYRROLIDINYL)-1-(3,4-METHYLENEDIOXYPHENYL)-1-PROPANONE
Systematic Name English
1-PROPANONE, 1-(1,3-BENZODIOXOL-5-YL)-3-(1-PYRROLIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
30418-52-1
Created by admin on Fri Dec 15 19:10:11 GMT 2023 , Edited by admin on Fri Dec 15 19:10:11 GMT 2023
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FDA UNII
V2XPB4FQOR
Created by admin on Fri Dec 15 19:10:11 GMT 2023 , Edited by admin on Fri Dec 15 19:10:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID10184507
Created by admin on Fri Dec 15 19:10:11 GMT 2023 , Edited by admin on Fri Dec 15 19:10:11 GMT 2023
PRIMARY
PUBCHEM
147355
Created by admin on Fri Dec 15 19:10:11 GMT 2023 , Edited by admin on Fri Dec 15 19:10:11 GMT 2023
PRIMARY