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805231-52-1 | 4H-1,3,5-Dioxazine, 5,5'-(1,2-ethanediyl)bis[dihydro-
CAS No: 805231-52-1 Catalog No: AG005KND MDL No:
Product Description
Catalog Number:
AG005KND
Chemical Name:
4H-1,3,5-Dioxazine, 5,5'-(1,2-ethanediyl)bis[dihydro-
CAS Number:
805231-52-1
Molecular Formula:
C8H16N2O4
Molecular Weight:
204.2236
IUPAC Name:
5-[2-(1,3,5-dioxazinan-5-yl)ethyl]-1,3,5-dioxazinane
InChI:
InChI=1S/C8H16N2O4/c1(9-3-11-7-12-4-9)2-10-5-13-8-14-6-10/h1-8H2
InChI Key:
GGJPAVNUERGHGJ-UHFFFAOYSA-N
SMILES:
O1COCN(C1)CCN1COCOC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.226g/mol
Monoisotopic Mass:
204.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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