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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=CC2=C(OCC(=O)CO2)C=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 Sat Dec 16 10:10:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:10:18 GMT 2023
Record UNII
ZGG2W7GFC7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Propyl-2H-1,5-benzodioxepin-3(4H)-one
Systematic Name English
2H-1,5-Benzodioxepin-3(4H)-one, 7-propyl-
Systematic Name English
Code System Code Type Description
CAS
207228-93-1
Created by admin on Sat Dec 16 10:10:18 GMT 2023 , Edited by admin on Sat Dec 16 10:10:18 GMT 2023
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FDA UNII
ZGG2W7GFC7
Created by admin on Sat Dec 16 10:10:18 GMT 2023 , Edited by admin on Sat Dec 16 10:10:18 GMT 2023
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PUBCHEM
22219097
Created by admin on Sat Dec 16 10:10:18 GMT 2023 , Edited by admin on Sat Dec 16 10:10:18 GMT 2023
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EPA CompTox
DTXSID1051357
Created by admin on Sat Dec 16 10:10:18 GMT 2023 , Edited by admin on Sat Dec 16 10:10:18 GMT 2023
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