Ethoxymethylenemalononitrile Ethoxymethylenemalononiyrile

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:123-06-8

MDL number:MFCD00001854

EINECS number:204-597-0

RTECS number:OO3850000

BRN number:1634241

PubChem ID:None

Physical property data

None yet

Toxicological data

1, acute toxicity: mice through peritoneal cavity LD5O: 50mg/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1, Molar refractive index:31.31

2, Molar volume (m³/mol):114.1

3, Isotonic specific volume (90.2K): 290.5

4, Surface Tension (dyne/cm): 41.9

5、 Polarizability (10^-24cm³):12.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 56.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 182

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

ttom-alt: auto; mso-pagination: widow-orphan; tab-stops: list 36.0pt” align=left>5, Polarizability (10^-24cm³):12.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 56.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 182

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet