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Home > Nitro Compounds > 177191-13-8
177191-13-8 | Propane, 1,1'-[methylenebis(oxy)]bis[3-azido-2,2-dinitro- (9CI)
CAS No: 177191-13-8 Catalog No: AG00254Y MDL No:
Product Description
Catalog Number:
AG00254Y
Chemical Name:
Propane, 1,1'-[methylenebis(oxy)]bis[3-azido-2,2-dinitro- (9CI)
CAS Number:
177191-13-8
Molecular Formula:
C7H10N10O10
Molecular Weight:
394.2153
IUPAC Name:
1-azido-3-[(3-azido-2,2-dinitropropoxy)methoxy]-2,2-dinitropropane
InChI:
InChI=1S/C7H10N10O10/c8-12-10-1-6(14(18)19,15(20)21)3-26-5-27-4-7(16(22)23,17(24)25)2-11-13-9/h1-5H2
InChI Key:
VYPNUPPLWWIWHF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC([N+](=O)[O-])([N+](=O)[O-])COCOCC([N+](=O)[O-])([N+](=O)[O-])CN=[N+]=[N-]
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.058g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.217g/mol
Monoisotopic Mass:
394.058g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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