Home Other Building Blocks 1,3,6-dioxazocane

1,3,6-dioxazocane

CAS No.:
77738-97-7
Catalog Number:
AG01A00E
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
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Product Description
Catalog Number:
AG01A00E
Chemical Name:
1,3,6-dioxazocane
CAS Number:
77738-97-7
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD19225458
IUPAC Name:
1,3,6-dioxazocane
InChI:
InChI=1S/C5H11NO2/c1-3-7-5-8-4-2-6-1/h6H,1-5H2
InChI Key:
WNZTUPZDDWBVIM-UHFFFAOYSA-N
SMILES:
C1OCCNCCO1
Properties
Complexity:
52.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties