3-acetamidobenzoic acid

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:587-48-4

MDL number:MFCD00013983

EINECS number:209-600-9

RTECS number:None

BRN number:2210867

PubChem number:24844992

Physical property data

1. Physical property data

1. Melting point (ºC): 247-252

Toxicological data

None

Ecological data

None

Molecular structure data

Molecular property data:

1, Molar refractive index:47.45

2, Molar volume (m³/mol):135.0

3, Isotonic specific volume (90.2K ):373.1

4, Surface tension (dyne/ cm):58.2

5, Polarizability (10^-24cm³): 18.81

Compute chemical data

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

2. Number of hydrogen bond donors: 2

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 66.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 215

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

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxides.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None

Purpose

None