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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O3
Molecular Weight 104.1045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,5-TRIOXEPANE

SMILES

C1COCOCO1

InChI

InChIKey=ULAGGPJVDRGWTI-UHFFFAOYSA-N
InChI=1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2

HIDE SMILES / InChI

Molecular Formula C4H8O3
Molecular Weight 104.1045
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Volatile metabolites from microorganisms grown on humid building materials and synthetic media.
2002 Oct
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:03 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:03 GMT 2023
Record UNII
038R511H1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,5-TRIOXEPANE
Systematic Name English
1,3,5-TRIOXACYCLOHEPTANE
Systematic Name English
NSC-511991
Code English
Code System Code Type Description
EPA CompTox
DTXSID80208547
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
PUBCHEM
22294
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
FDA UNII
038R511H1R
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
NSC
511991
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
CAS
5981-06-6
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY