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Paramethadione-d3

CAT: 0926-AAA11567-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA11567-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-67-3
Smiles
CCC1 (C (=O) N (C (=O) O1) C) C
Molecular Formula
C7H8D3NO3
Molecular Weight
160.19 g/mol
Controlled
No

Chemical Information

Paramethadione

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

CAS Number115-67-3
PubChem CID8280
IUPAC Name5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
Molecular FormulaC7H11NO3
Molecular Weight157.17
XLogP0.8
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity214
SMILES
CCC1(C(=O)N(C(=O)O1)C)C
InChI
InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKey
VQASKUSHBVDKGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Paramethadione
CAS: 115-67-3
CID: 8280
Formula: C7H11NO3
MW: 157.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.17
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass157.07389321
Monoisotopic Mass157.07389321
Topological Polar Surface Area46.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity214
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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