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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O3
Molecular Weight 224.2961
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5-OXOCYCLOPENT-1-ENE-1-HEPTANOATE

SMILES

COC(=O)CCCCCCC1=CCCC1=O

InChI

InChIKey=KDHIOWQSFJTRQG-UHFFFAOYSA-N
InChI=1S/C13H20O3/c1-16-13(15)10-5-3-2-4-7-11-8-6-9-12(11)14/h8H,2-7,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H20O3
Molecular Weight 224.2961
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 12:02:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:51 GMT 2023
Record UNII
5SL54U83NJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 5-OXOCYCLOPENT-1-ENE-1-HEPTANOATE
Systematic Name English
2-((6-METHOXYCARBONYL)HEXYL)CYCLOPENT-2-EN-1-ONE
Systematic Name English
2-(6'-CARBOMETHOXYHEXYL)-2-CYCLOPENTEN-1-ONE
Systematic Name English
1-CYCLOPENTENE-1-HEPTANOIC ACID, 5-OXO-, METHYL ESTER
Systematic Name English
METHYL 7-(5-OXO-1-CYCLOPENTENYL)HEPTANOATE
Systematic Name English
2-(6-METHOXYCARBONYLHEXYL)-2-CYCLOPENTENONE
Systematic Name English
2-(6-CARBOXYHEXYL)-2-CYCLOPENTEN-1-ONE METHYL ESTER
Systematic Name English
METHYL 5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
Systematic Name English
Code System Code Type Description
CAS
34546-57-1
Created by admin on Sat Dec 16 12:02:51 GMT 2023 , Edited by admin on Sat Dec 16 12:02:51 GMT 2023
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PUBCHEM
2777884
Created by admin on Sat Dec 16 12:02:51 GMT 2023 , Edited by admin on Sat Dec 16 12:02:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID70188086
Created by admin on Sat Dec 16 12:02:51 GMT 2023 , Edited by admin on Sat Dec 16 12:02:51 GMT 2023
PRIMARY
FDA UNII
5SL54U83NJ
Created by admin on Sat Dec 16 12:02:51 GMT 2023 , Edited by admin on Sat Dec 16 12:02:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-080-3
Created by admin on Sat Dec 16 12:02:51 GMT 2023 , Edited by admin on Sat Dec 16 12:02:51 GMT 2023
PRIMARY