pteroic 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:119-24-4

mdl number:mfcd00075823

einecs number:none

rtecs number:none

brn number:none

pubchem number:24898244

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1, moore refractive index: 83.60

2, molar volume (m³/mol):189.8

3、 isotonic specific volume (90.2k) ：621.7

4, surface tension (dyne/cm):115.0

5、 polarizability (10^-24cm³):233.14

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.3

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 4

5. number of tautomers: 36

6. topological molecular polar surface area 143

7. number of heavy atoms: 23

8. surface charge: 0

9. complexity: 503

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

ily: arial; mso-font-kerning: 0pt”>233.14

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.3

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 4

5. number of tautomers: 36

6. topological molecular polar surface area 143

7. number of heavy atoms: 23

8. surface charge: 0

9. complexity: 503

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet