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101074-13-9 | 1,3,5,7-Tetrazocine-2,6(1H,3H)-dione, tetrahydro-1,3,5,7-tetramethyl-
CAS No: 101074-13-9 Catalog No: AG0003OA MDL No:
Product Description
Catalog Number:
AG0003OA
Chemical Name:
1,3,5,7-Tetrazocine-2,6(1H,3H)-dione, tetrahydro-1,3,5,7-tetramethyl-
CAS Number:
101074-13-9
Molecular Formula:
C8H16N4O2
Molecular Weight:
200.2382
IUPAC Name:
1,3,5,7-tetramethyl-1,3,5,7-tetrazocane-2,6-dione
InChI:
InChI=1S/C8H16N4O2/c1-9-5-10(2)8(14)12(4)6-11(3)7(9)13/h5-6H2,1-4H3
InChI Key:
HOVBUNMEUMUTHL-UHFFFAOYSA-N
SMILES:
CN1CN(C)C(=O)N(CN(C1=O)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.242g/mol
Monoisotopic Mass:
200.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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