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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O3
Molecular Weight 206.2378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Propyl-2H-1,5-benzodioxepin-3(4H)-one

SMILES

CCCC1=CC=C2OCC(=O)COC2=C1

InChI

InChIKey=KQPGRKHBHURUAP-UHFFFAOYSA-N
InChI=1S/C12H14O3/c1-2-3-9-4-5-11-12(6-9)15-8-10(13)7-14-11/h4-6H,2-3,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H14O3
Molecular Weight 206.2378
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 Mon Mar 31 23:05:33 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:33 GMT 2025
Record UNII
ZGG2W7GFC7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1,5-Benzodioxepin-3(4H)-one, 7-propyl-
Preferred Name English
7-Propyl-2H-1,5-benzodioxepin-3(4H)-one
Systematic Name English
Code System Code Type Description
CAS
207228-93-1
Created by admin on Mon Mar 31 23:05:33 GMT 2025 , Edited by admin on Mon Mar 31 23:05:33 GMT 2025
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FDA UNII
ZGG2W7GFC7
Created by admin on Mon Mar 31 23:05:33 GMT 2025 , Edited by admin on Mon Mar 31 23:05:33 GMT 2025
PRIMARY
PUBCHEM
22219097
Created by admin on Mon Mar 31 23:05:33 GMT 2025 , Edited by admin on Mon Mar 31 23:05:33 GMT 2025
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EPA CompTox
DTXSID1051357
Created by admin on Mon Mar 31 23:05:33 GMT 2025 , Edited by admin on Mon Mar 31 23:05:33 GMT 2025
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