1,3,5-TRIOXEPANE

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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

Structure Search

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

Title	Date	PubMed
Volatile metabolites from microorganisms grown on humid building materials and synthetic media.	2002-10	12400912

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:22 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:22 GMT 2025`
Record UNII	038R511H1R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,3,5-TRIOXEPANE

Systematic Name

English

NSC-511991

Preferred Name

English

1,3,5-TRIOXACYCLOHEPTANE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80208547

Created by admin on Mon Mar 31 18:51:22 GMT 2025 , Edited by admin on Mon Mar 31 18:51:22 GMT 2025

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PUBCHEM

22294

Created by admin on Mon Mar 31 18:51:22 GMT 2025 , Edited by admin on Mon Mar 31 18:51:22 GMT 2025

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FDA UNII

038R511H1R

Created by admin on Mon Mar 31 18:51:22 GMT 2025 , Edited by admin on Mon Mar 31 18:51:22 GMT 2025

PRIMARY

NSC

511991

Created by admin on Mon Mar 31 18:51:22 GMT 2025 , Edited by admin on Mon Mar 31 18:51:22 GMT 2025

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CAS

5981-06-6

Created by admin on Mon Mar 31 18:51:22 GMT 2025 , Edited by admin on Mon Mar 31 18:51:22 GMT 2025

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