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4-Methyl-1,3-dioxane

CAT: 0804-HY-W111914-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W111914-01Size:5 g
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Description
4-Methyl-1,3-dioxane (4-Methyl-m-dioxane) is a natural product[1].
CAS Number
1120-97-4
Product Name Alternative
4-Methyl-m-dioxane
UNSPSC
12352005
Hazard Statement
H225, H315, H319
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/4-methyl-1-3-dioxane.html
Purity
97.02
Smiles
CC1OCOCC1
Molecular Formula
C5H10O2
Molecular Weight
102.13
Precautions
H225, H315, H319
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4-Methyl-1,3-dioxane
CAS Number1120-97-4
PubChem CID14269
IUPAC Name4-methyl-1,3-dioxane
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP0.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
CC1CCOCO1
InChI
InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3
InChIKey
INCCMBMMWVKEGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-1,3-dioxane
CAS: 1120-97-4
CID: 14269
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area18.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS57789331,3-Dioxane, 4-methyl-2-phenyl-
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