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Home > Nitro Compounds > 82975-75-5
82975-75-5 | 1,3-Propanediol,2-[(nitrooxy)methyl]-, dinitrate (9CI)
CAS No: 82975-75-5 Catalog No: AG0053TK MDL No:
Product Description
Catalog Number:
AG0053TK
Chemical Name:
1,3-Propanediol,2-[(nitrooxy)methyl]-, dinitrate (9CI)
CAS Number:
82975-75-5
Molecular Formula:
C4H7N3O9
Molecular Weight:
241.1131
IUPAC Name:
[3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
InChI:
InChI=1S/C4H7N3O9/c8-5(9)14-1-4(2-15-6(10)11)3-16-7(12)13/h4H,1-3H2
InChI Key:
ZZDGRYRPZQYFCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCC(CO[N+](=O)[O-])CO[N+](=O)[O-]
EC Number:
280-078-2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.112g/mol
Monoisotopic Mass:
241.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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