5-methylsalicylic 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:89-56-5

mdl number:mfcd00002461

einecs number:201-918-6

rtecs number:gp3920200

brn number:1909076

pubchem number:24882053

physical property data

melting point (ºc): 152

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 39.88

2. molar volume (cm³/mol): 116.6

3. isotonic specific volume (90.2k ): 322.0

4. surface tension (dyne/cm): 58.0

5. polarizability (10-24cm3): 15.81

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 2.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: 4

6. topological molecular polar surface area (tpsa): 57.5

p>

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 155

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 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