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Home > Nitro Compounds > 89211-48-3
89211-48-3 | Pentane, 1,3,5-trinitro-
CAS No: 89211-48-3 Catalog No: AG0043TO MDL No:
Product Description
Catalog Number:
AG0043TO
Chemical Name:
Pentane, 1,3,5-trinitro-
CAS Number:
89211-48-3
Molecular Formula:
C5H9N3O6
Molecular Weight:
207.1415
IUPAC Name:
1,3,5-trinitropentane
InChI:
InChI=1S/C5H9N3O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2
InChI Key:
IMDNOPLHGWHJMB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CC[N+](=O)[O-])CC[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.142g/mol
Monoisotopic Mass:
207.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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