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83540-63-0 | 2H-1,4,6-Oxadiazocin-5(6H)-one, tetrahydro-4,6-dimethyl-
CAS No: 83540-63-0 Catalog No: AG008J46 MDL No:
Product Description
Catalog Number:
AG008J46
Chemical Name:
2H-1,4,6-Oxadiazocin-5(6H)-one, tetrahydro-4,6-dimethyl-
CAS Number:
83540-63-0
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
4,6-dimethyl-1,4,6-oxadiazocan-5-one
InChI:
InChI=1S/C7H14N2O2/c1-8-3-5-11-6-4-9(2)7(8)10/h3-6H2,1-2H3
InChI Key:
KIXNAQKDJKUBJB-UHFFFAOYSA-N
SMILES:
CN1CCOCCN(C1=O)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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