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Di-2-methoxyethyl azodicarboxylate

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CAS Number
940868-64-4
Synonyms
2-methoxyethyl N- (2-methoxyethoxycarbonylimino) carbamate
Purity
94%
Smiles
O=C(O)CN(CC(O)=O)CCNCC(O)=O

Chemical Information

2-methoxyethyl N-(2-methoxyethoxycarbonylimino)carbamate

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CAS Number940868-64-4
PubChem CID53384415
IUPAC Name2-methoxyethyl N-(2-methoxyethoxycarbonylimino)carbamate
Molecular FormulaC8H14N2O6
Molecular Weight234.21
XLogP0.7
Topological Polar Surface Area95.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity219
SMILES
COCCOC(=O)N=NC(=O)OCCOC
InChI
InChI=1S/C8H14N2O6/c1-13-3-5-15-7(11)9-10-8(12)16-6-4-14-2/h3-6H2,1-2H3
InChIKey
PGHKJMVOHWKSLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methoxyethyl N-(2-methoxyethoxycarbonylimino)carbamate
CAS: 940868-64-4
CID: 53384415
Formula: C8H14N2O6
MW: 234.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight234.21
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass234.08518617
Monoisotopic Mass234.08518617
Topological Polar Surface Area95.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes