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Trimethadione 200mg

CAT: 0628-A17688-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A17688-200Size:200 mg
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CAS Number
127-48-0

Chemical Information

Trimethadione

Trimethadione can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number127-48-0
PubChem CID5576
IUPAC Name3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
Molecular FormulaC6H9NO3
Molecular Weight143.14
XLogP0.3
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity197
SMILES
CC1(C(=O)N(C(=O)O1)C)C
InChI
InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
InChIKey
IRYJRGCIQBGHIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethadione
CAS: 127-48-0
CID: 5576
Formula: C6H9NO3
MW: 143.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.14
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass143.058243149
Monoisotopic Mass143.058243149
Topological Polar Surface Area46.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity197
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