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