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(Carboxymethyl)oxamic Acid Diethyl Ester

CAT: 0572-TRC-C181005-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C181005-5GSize:5 g
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CAS Number
29655-79-6
Synonyms
(Carboxymethyl)oxamic Acid Diethyl Ester
Hazard Statement
No Data Available
Smiles
CCOC(=O)CNC(=O)C(=O)OCC
Molecular Formula
C8 H13 N O5
Molecular Weight
203.192
InChI
InChI=1S/C8H13NO5/c1-3-13-6(10)5-9-7(11)8(12)14-4-2/h3-5H2,1-2H3,(H,9,11)
Additionnal Information
IUPAC name: ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoacetate
Shipping Conditions
Room Temperature

Chemical Information

Ethyl N-(ethoxy(oxo)acetyl)glycinate
CAS Number29655-79-6
PubChem CID2779372
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoacetate
Molecular FormulaC8H13NO5
Molecular Weight203.19
XLogP0.5
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity226
SMILES
CCOC(=O)CNC(=O)C(=O)OCC
InChI
InChI=1S/C8H13NO5/c1-3-13-6(10)5-9-7(11)8(12)14-4-2/h3-5H2,1-2H3,(H,9,11)
InChIKey
WFXMDHFQXBWTSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl N-(ethoxy(oxo)acetyl)glycinate
CAS: 29655-79-6
CID: 2779372
Formula: C8H13NO5
MW: 203.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.19
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass203.07937252
Monoisotopic Mass203.07937252
Topological Polar Surface Area81.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity226
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