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Ethyl cyclopropanecarboxylate-d4

CAT: 0804-HY-W701650-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W701650-01Size:25 mg
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Description
Ethyl cyclopropanecarboxylate-d4 (Cyclopropanecarboxylic Acid Ethyl Ester-d4) is the deuterium labeled Ethyl cyclopropanecarboxylate.
CAS Number
927810-77-3
Product Name Alternative
Cyclopropanecarboxylic Acid Ethyl Ester-d4
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C(C1C([2H])(C1([2H])[2H])[2H])OCC
Molecular Formula
C6H6D4O2
Molecular Weight
118.17
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ethyl Cyclopropylcarboxylate-d4
CAS Number927810-77-3
PubChem CID71316556
IUPAC Nameethyl 2,2,3,3-tetradeuteriocyclopropane-1-carboxylate
Molecular FormulaC6H10O2
Molecular Weight118.17
XLogP0.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
[2H]C1(C(C1([2H])[2H])C(=O)OCC)[2H]
InChI
InChI=1S/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3/i3D2,4D2
InChIKey
LDDOSDVZPSGLFZ-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Cyclopropylcarboxylate-d4
CAS: 927810-77-3
CID: 71316556
Formula: C6H10O2
MW: 118.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.17
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass118.093186541
Monoisotopic Mass118.093186541
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.7
Isotope Atom Count4
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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