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Diethyl 2,2'-oxydiacetate

CAT: 0127-OR1031838-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1031838-01Size:250 mg
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CAS Number
6634-17-9
Purity
98%
Smiles
O=C(OCC)COCC(OCC)=O

Chemical Information

Ethoxycarbonylmethoxy-acetic acid ethyl ester
CAS Number6634-17-9
PubChem CID242855
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethoxy)acetate
Molecular FormulaC8H14O5
Molecular Weight190.19
XLogP0.7
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity148
SMILES
CCOC(=O)COCC(=O)OCC
InChI
InChI=1S/C8H14O5/c1-3-12-7(9)5-11-6-8(10)13-4-2/h3-6H2,1-2H3
InChIKey
HXRSYRRQEGJNQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethoxycarbonylmethoxy-acetic acid ethyl ester
CAS: 6634-17-9
CID: 242855
Formula: C8H14O5
MW: 190.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.19
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass190.08412354
Monoisotopic Mass190.08412354
Topological Polar Surface Area61.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity148
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