Erysyl nitrate Oleylethanolamide

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:111-58-0

MDL number:MFCD00045972

EINECS number:203-884-8

RTECS number:None

BRN number:None

PubChem number:24278603

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 99.92

2. Molar volume (m³/mol): 355.7

3. isotonic specific volume (90.2K):864.8

4. Surface Tension (dyne/cm):34.9

5. Polarizability（10^-24cm³):39.61

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：6.3

2. Hydrogen Bonding Number of donors: 2

3. Hydrogen Bonding Number of receptors: 2

4. Rotatable Number of chemical bonds: 17

5. Interchange Number of isomers: 2

6. Topological molecules Polar surface area (TPSA）：49.3

7. Heavy atoms Quantity: 23

8. Surface charge ：0

3. Number of hydrogen bond acceptors:2

4. Rotatable Number of chemical bonds: 17

5. Interchange Number of isomers: 2

6. Topological molecules Polar surface area (TPSA）：49.3

7. Heavy atoms Quantity: 23

8. Surface charge ：0

9. Complexity ：277

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 stereocenters of chemical bonds:0

14. Uncertain number of chemical bond stereocenters:0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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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 stereocenters of chemical bonds:0

14. Uncertain number of chemical bond stereocenters:0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None