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Home > Nitro Compounds > 14674-58-9
14674-58-9 | 1-Propanol, 3,3'-[methylenebis(oxy)]bis[2,2-dinitro- (9CI)
CAS No: 14674-58-9 Catalog No: AG001EAQ MDL No:
Product Description
Catalog Number:
AG001EAQ
Chemical Name:
1-Propanol, 3,3'-[methylenebis(oxy)]bis[2,2-dinitro- (9CI)
CAS Number:
14674-58-9
Molecular Formula:
C7H12N4O12
Molecular Weight:
344.1898
IUPAC Name:
3-[(3-hydroxy-2,2-dinitropropoxy)methoxy]-2,2-dinitropropan-1-ol
InChI:
InChI=1S/C7H12N4O12/c12-1-6(8(14)15,9(16)17)3-22-5-23-4-7(2-13,10(18)19)11(20)21/h12-13H,1-5H2
InChI Key:
BBFSNKVOKLXPJB-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])([N+](=O)[O-])COCOCC([N+](=O)[O-])([N+](=O)[O-])CO
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.189g/mol
Monoisotopic Mass:
344.045g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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