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Diethyl 2-Ethyl-2-methylmalonate-D3

CAT: 0572-TRC-D444467-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D444467-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
848565-90-2
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C(CC)(C(=O)OCC)C(=O)OCC
Molecular Formula
C10 D3 H15 O4
Molecular Weight
205.266
InChI
InChI=1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3/i4D3
Additionnal Information
IUPAC name: diethyl 2-ethyl-2-(trideuteriomethyl)propanedioate
Shipping Conditions
Room Temperature

Chemical Information

Diethyl 2-Ethyl-2-methylmalonate-D3
CAS Number848565-90-2
PubChem CID11241180
IUPAC Namediethyl 2-ethyl-2-(trideuteriomethyl)propanedioate
Molecular FormulaC10H18O4
Molecular Weight205.27
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
[2H]C([2H])([2H])C(CC)(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3/i4D3
InChIKey
ODRGILDUWDVBJX-GKOSEXJESA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2-Ethyl-2-methylmalonate-D3
CAS: 848565-90-2
CID: 11241180
Formula: C10H18O4
MW: 205.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.27
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass205.13933929
Monoisotopic Mass205.13933929
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
Isotope Atom Count3
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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