rodentin

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:83-26-1

MDL number:MFCD00021230

EINECS number:201-462-8

RTECS number:NK6300000

BRN number:2051258

PubChem number:24899309

Physical property data

1. Character: bright yellow crystal

2. Density (g/mL, 25/4℃): Uncertain

3. &nb

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 61.75

2. Molar volume (cm³/mol): 192.3

3. Isotonic specific volume (90.2K ): 502.6

4. Surface tension (dyne/cm): 46.6

5. Polarizability (10^-24cm³): 24.48

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

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: 3

6. Topological molecule polar surface area 51.2

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 351

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

Storage method

None

Synthesis method

None

Purpose

None

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