1-acetyl isatin

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:574-17-4

MDL number:MFCD00158542

EINECS number:209-368-9

RTECS number:NL7873800

BRN number:113959

PubChem ID:None

Physical property data

1. Physical property data

1. Characteristics: yellow crystal

2. Melting point (℃):144

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 46.84

2. Molar volume (m³/mol）：133.8

3. isotonic specific volume (90.2K):374.4

4. Surface Tension (dyne/cm):61.2

5. Polarizability（10^-24cm³):18.57

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 311

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

1. Basic properties

Storage method

None

Synthesis method

2. Brief description of production method

Purpose

3. Purpose

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