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Home > Nitro Compounds > 200443-65-8
200443-65-8 | Propane, 1,1,1-trinitro-3-[(3,3,3-trinitropropoxy)methoxy]-
CAS No: 200443-65-8 Catalog No: AG002CRR MDL No:
Product Description
Catalog Number:
AG002CRR
Chemical Name:
Propane, 1,1,1-trinitro-3-[(3,3,3-trinitropropoxy)methoxy]-
CAS Number:
200443-65-8
Molecular Formula:
C7H10N6O14
Molecular Weight:
402.1861
IUPAC Name:
1,1,1-trinitro-3-(3,3,3-trinitropropoxymethoxy)propane
InChI:
InChI=1S/C7H10N6O14/c14-8(15)6(9(16)17,10(18)19)1-3-26-5-27-4-2-7(11(20)21,12(22)23)13(24)25/h1-5H2
InChI Key:
ALXPKYJZHJUOAK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])CCOCOCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.025g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.185g/mol
Monoisotopic Mass:
402.025g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
293A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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