Chemical Properties of 2,4,7-Trinitroxanthen-9-one (CAS 131032-92-3)

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

Formula

C13H5N3O8

SMILES

O=c1c2cc([N+](=O)[O-])ccc2oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc12

Molecular Weight¹

331.19

CAS

131032-92-3

Other Names

• 2,4,7-Trinitroxanthone

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2,4,7-Trinitroxanthen-9-one.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.