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87695-55-4 | 1-Propanol, 3,3,3-trinitro-
CAS No: 87695-55-4 Catalog No: AG004NRY MDL No:
Product Description
Catalog Number:
AG004NRY
Chemical Name:
1-Propanol, 3,3,3-trinitro-
CAS Number:
87695-55-4
Molecular Formula:
C3H5N3O7
Molecular Weight:
195.0877
IUPAC Name:
3,3,3-trinitropropan-1-ol
InChI:
InChI=1S/C3H5N3O7/c7-2-1-3(4(8)9,5(10)11)6(12)13/h7H,1-2H2
InChI Key:
IVLKBZHWMZOSPZ-UHFFFAOYSA-N
SMILES:
OCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.087g/mol
Monoisotopic Mass:
195.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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