2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione supplier

Name
2-(1H-indol-3-ylmethylene)-1,3-cyclohexanedione
EINECS
CAS No. 40302-36-1
Article Data1
CAS DataBase
Density 1.331 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₃NO₂
Boiling Point 517.9 °C at 760 mmHg
Molecular Weight 239.274
Flash Point 261.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-indol-3-ylmethylene)-1,3-cyclohexanedione
PSA
LogP

2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione Specification

This chemical is called 2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione, and it's also named as 2-(1H-indol-3-ylmethylene)-1,3-cyclohexanedione. With the molecular formula of C₁₅H₁₃NO₂, its molecular weight is 239.26922. The CAS registry number of this chemical is 40302-36-1.

Other characteristics of the 2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione can be summarised as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 39.07 Å²; (7)Index of Refraction: 1.718; (8)Molar Refractivity: 70.85 cm³; (9)Molar Volume: 179.6 cm³; (10)Polarizability: 28.08×10^-24cm³; (11)Surface Tension: 67.5 dyne/cm; (12)Density: 1.331 g/cm³; (13)Flash Point: 261.8 °C; (14)Enthalpy of Vaporization: 79.03 kJ/mol; (15)Boiling Point: 517.9 °C at 760 mmHg; (16)Vapour Pressure: 7.85E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1/C(C(=O)CCC1)=C\c3c2ccccc2nc3
2.InChI: InChI=1/C15H13NO2/c17-14-6-3-7-15(18)12(14)8-10-9-16-13-5-2-1-4-11(10)13/h1-2,4-5,8-9,16H,3,6-7H2
3.InChIKey: FHZSANGAJBLBIP-UHFFFAOYAI

Product Name

2-(1H-indol-3-ylmethylene)-1,3-cyclohexanedione

2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione Specification

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