1,2,4-Trioxane
Basic information
- CAS
7049-17-4- Standard SMILES
C1COOCO1- InChIKey
FQERLIOIVXPZKH-UHFFFAOYSA-N- Molecular formula
- C3H6O3
- Average molar mass
- 90.08 g/mol
- Monoisotopic mass
- 90.03169405
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2,4-Trioxane
- IUPAC
- 1,2,4-trioxane
Names & synonyms
1,2,4-TRIOXANEX5CWB98J7S7049-17-4DTXSID30616113RefChem:71559DTXCID50566868As-trioxanePM 443UNII-X5CWB98J7SSCHEMBL29967SCHEMBL25228344SCHEMBL25274857
Show more names
SCHEMBL25281897Q2806555
Database identifiers
- CAS
7049-17-4- PubChem CID
- 21584057
- DTXSID
DTXSID30616113- UNII
- X5CWB98J7S
- Nikkaji
- J1.070.001I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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