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S-Trioxane

CAT: 0127-OR1003328-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1003328-01Size:1 g
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CAS Number
110-88-3
MDL Number
MFCD00006563
Purity
95%
Smiles
O1COCOC1

Chemical Information

1,3,5-Trioxane

1,3,5-trioxane is a saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms. It is a saturated organic heteromonocyclic parent and a trioxane.

CAS Number110-88-3
PubChem CID8081
IUPAC Name1,3,5-trioxane
Molecular FormulaC3H6O3
Molecular Weight90.08
XLogP-0.4
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity21
SMILES
C1OCOCO1
InChI
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
InChIKey
BGJSXRVXTHVRSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Trioxane
CAS: 110-88-3
CID: 8081
Formula: C3H6O3
MW: 90.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.08
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass90.031694049
Monoisotopic Mass90.031694049
Topological Polar Surface Area27.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity21.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T29935-01S-Trioxane 99%
250225-011,3,5-Trioxane for Synthesis (Sym-Trioxane) 99.0%
TRC-T805550-250G1,3,5-Trioxane
9200241,3,5‐TRIOXANE
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AR-B02195-012,4,6-tripropyl-1,3,5-trioxane
TRC-T774930-250MG2,4,6-Tricyclohexyl-1,3,5-trioxane
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