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Home > Nitro Compounds > 81340-13-8
81340-13-8 | 2H-1,3-Oxazine, tetrahydro-3,5,5-trinitro-
CAS No: 81340-13-8 Catalog No: AG0059QY MDL No:
Product Description
Catalog Number:
AG0059QY
Chemical Name:
2H-1,3-Oxazine, tetrahydro-3,5,5-trinitro-
CAS Number:
81340-13-8
Molecular Formula:
C4H6N4O7
Molecular Weight:
222.1130
IUPAC Name:
3,5,5-trinitro-1,3-oxazinane
InChI:
InChI=1S/C4H6N4O7/c9-6(10)4(7(11)12)1-5(8(13)14)3-15-2-4/h1-3H2
InChI Key:
YATAPPCQUUHLOC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1COCC(C1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.113g/mol
Monoisotopic Mass:
222.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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