Chemical Properties of 4-Methyl-6-oxo-1,2,3a,7-tetrazaindene (CAS 69924-53-4)

InChI

InChI=1S/C6H6N4O/c1-4-2-5(11)8-6-9-7-3-10(4)6/h2-3H,1H3,(H,8,9,11)

InChI Key

KNDVOXYNXZHWSJ-UHFFFAOYSA-N

Formula

C6H6N4O

SMILES

Cc1cc(O)nc2nncn12

Molecular Weight¹

150.14

CAS

69924-53-4

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 4-Methyl-6-oxo-1,2,3a,7-tetrazaindene.

Sources

• Cheméo Relay (1.0)
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• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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