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88538-46-9 | 1,5-Diazocine-1(2H)-carboxaldehyde, hexahydro-3,3,5,7,7-pentanitro-
CAS No: 88538-46-9 Catalog No: AG0045P0 MDL No:
Product Description
Catalog Number:
AG0045P0
Chemical Name:
1,5-Diazocine-1(2H)-carboxaldehyde, hexahydro-3,3,5,7,7-pentanitro-
CAS Number:
88538-46-9
Molecular Formula:
C7H9N7O11
Molecular Weight:
367.1867
IUPAC Name:
3,3,5,7,7-pentanitro-1,5-diazocane-1-carbaldehyde
InChI:
InChI=1S/C7H9N7O11/c15-5-8-1-6(10(16)17,11(18)19)3-9(14(24)25)4-7(2-8,12(20)21)13(22)23/h5H,1-4H2
InChI Key:
GTCHQZNBPFFBMP-UHFFFAOYSA-N
SMILES:
O=CN1CC(CN(CC(C1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.036g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.187g/mol
Monoisotopic Mass:
367.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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