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Diethyl Methyl-d3-malonate

CAT: 0024-sc-207572Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-207572Size:50 mg
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CAS Number
54840-57-2

Chemical Information

Diethyl Methyl-d3-malonate
CAS Number54840-57-2
PubChem CID10535298
IUPAC Namediethyl 2-(trideuteriomethyl)propanedioate
Molecular FormulaC8H14O4
Molecular Weight177.21
XLogP1.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity146
SMILES
[2H]C([2H])([2H])C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3/i3D3
InChIKey
UPQZOUHVTJNGFK-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Diethyl Methyl-d3-malonate
CAS: 54840-57-2
CID: 10535298
Formula: C8H14O4
MW: 177.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.21
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass177.10803916
Monoisotopic Mass177.10803916
Topological Polar Surface Area52.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
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

Related Products

CatalogName
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sc-207569Diethyl (Boc-amino) malonate
sc-227826Diethyl (3-chloropropyl) malonate
sc-353212Diethyl (2-nitrophenyl) malonate
sc-268885Diethyl (2-pentyl) malonate
sc-257340Diethyl malonate-2-13C
sc-353212ADiethyl (2-nitrophenyl) malonate

Alternative Products

CatalogName
CS-T-52810Diethyl Methyl-d3-malonate
MBS6116228-01Diethyl-(6-chloro-2-carbazolyl)methyl-d3 Malonate
009448Diethyl- (6-chloro-2-carbazolyl) methyl-d3 Malonate
604004DIETHYL MALONATE
TRC-D444588-250MGDiethyl (6-methyl-2-pyridylaminomethylene)malonate
TMIH-0191-01Dimethyl 2- (methyl-d3) malonate

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