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Home > Nitro Compounds > 859054-31-2
859054-31-2 | 2-Nitro-2-(3,5-dinitrophenyl)-1,3-propanediol dinitrate
CAS No: 859054-31-2 Catalog No: AG00H1NZ MDL No:
Product Description
Catalog Number:
AG00H1NZ
Chemical Name:
2-Nitro-2-(3,5-dinitrophenyl)-1,3-propanediol dinitrate
CAS Number:
859054-31-2
IUPAC Name:
[2-(3,5-dinitrophenyl)-2-nitro-3-nitrooxypropyl] nitrate
InChI:
InChI=1S/C9H7N5O12/c15-10(16)7-1-6(2-8(3-7)11(17)18)9(12(19)20,4-25-13(21)22)5-26-14(23)24/h1-3H,4-5H2
InChI Key:
PKEDWZLYEOGFED-UHFFFAOYSA-N
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.009g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.178g/mol
Monoisotopic Mass:
377.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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