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Home > Nitro Compounds > 131032-92-3
131032-92-3 | 9H-Xanthen-9-one, 2,4,7-trinitro-
CAS No: 131032-92-3 Catalog No: AG000VDE MDL No:
Product Description
Catalog Number:
AG000VDE
Chemical Name:
9H-Xanthen-9-one, 2,4,7-trinitro-
CAS Number:
131032-92-3
Molecular Formula:
C13H5N3O8
Molecular Weight:
331.1941
IUPAC Name:
2,4,7-trinitroxanthen-9-one
InChI:
InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChI Key:
GRKGPRVKUQAYIM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)c1c(o2)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.008g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.196g/mol
Monoisotopic Mass:
331.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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