U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

PubMed

PubMed

TitleDatePubMed
Volatile metabolites from microorganisms grown on humid building materials and synthetic media.
2002 Oct
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