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Dimethoxane

CAT: 0013-GTR19194676Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194676Size:25 mg
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Description
Dimethoxane is a bioactive compound utilized in research. It serves as a chemical intermediate and preservative, with applications studied in both in vitro assays and in vivo models within microbiological and materials science research.
CAS Number
828-00-2
Smiles
O=C (OC1OC (OC (C) C1) C) C
Molecular Formula
C8H14O4
Molecular Weight
174.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dimethoxane

Dimethoxane is a member of dioxanes.

CAS Number828-00-2
PubChem CID13232
IUPAC Name(2,6-dimethyl-1,3-dioxan-4-yl) acetate
Molecular FormulaC8H14O4
Molecular Weight174.19
XLogP1.1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
CC1CC(OC(O1)C)OC(=O)C
InChI
InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3
InChIKey
PHMNXPYGVPEQSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethoxane
CAS: 828-00-2
CID: 13232
Formula: C8H14O4
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass174.08920892
Monoisotopic Mass174.08920892
Topological Polar Surface Area44.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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