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Structure

2,2'-Bis(2-oxazoline)

CAS
36697-72-0
Catalog Number
ACM36697720-1
Category
Other Products
Molecular Weight
140.14
Molecular Formula
C6H8N2O2

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Specification

Synonyms
Bioxazoline
IUPAC Name
2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
Canonical SMILES
C1COC(=N1)C2=NCCO2
InChI
KKKKCPPTESQGQH-UHFFFAOYSA-N
InChI Key
InChI=1S/C6H8N2O2/c1-3-9-5(7-1)6-8-2-4-10-6/h1-4H2
Boiling Point
200.4±23.0 °C(Predicted)
Melting Point
213 °C
Storage
0-10°C
Complexity
176
Covalently-Bonded Unit Count
1
Exact Mass
140.058577502
H-Bond Acceptor
4
Heavy Atom Count
10
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Monoisotopic Mass
140.058577502
NSC Number
137947
Rotatable Bond Count
1
Topological Polar Surface Area
43.2 Ų

Upstream Synthesis Route 1

  • 16813-43-7
  • 36697-72-0

Reference: [1]Journal of the American Chemical Society,1938,vol. 60,p. 2152

Upstream Synthesis Route 2

  • 98485-17-7
  • 36697-72-0

Reference: [1]Journal of the Chemical Society,1956,p. 2006,2009

Upstream Synthesis Route 3

  • 6325-09-3
  • 141-43-5
  • 36697-72-0

Reference: [1]Journal of Organic Chemistry,1958,vol. 23,p. 262,265

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