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Home > Nitro Compounds > 18094-40-1
18094-40-1 | 1-Propanol, 3,3'-[1,2-ethanediylbis(nitroimino)]bis[2,2-dinitro- (9CI)
CAS No: 18094-40-1 Catalog No: AG0022HJ MDL No:
Product Description
Catalog Number:
AG0022HJ
Chemical Name:
1-Propanol, 3,3'-[1,2-ethanediylbis(nitroimino)]bis[2,2-dinitro- (9CI)
CAS Number:
18094-40-1
Molecular Formula:
C8H14N8O14
Molecular Weight:
446.2420
IUPAC Name:
N-(3-hydroxy-2,2-dinitropropyl)-N-[2-[(3-hydroxy-2,2-dinitropropyl)-nitroamino]ethyl]nitramide
InChI:
InChI=1S/C8H14N8O14/c17-5-7(11(19)20,12(21)22)3-9(15(27)28)1-2-10(16(29)30)4-8(6-18,13(23)24)14(25)26/h17-18H,1-6H2
InChI Key:
IAXGKEVOAXNZNO-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])([N+](=O)[O-])CN([N+](=O)[O-])CCN([N+](=O)[O-])CC([N+](=O)[O-])([N+](=O)[O-])CO
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.063g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.242g/mol
Monoisotopic Mass:
446.063g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
322A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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