m-hydroxycinnamic 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:588-30-7

mdl number:mfcd00004390

einecs number:209-615-0

rtecs number:none

brn number:2084229

pubchem id:none

physical property data

1. boiling point (ºc): 373.22. melting point (ºc): 193~1953. flash point (ºc): 193.74. relative density (d²⁰₄₎ : 1.329

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

molecular property data:

1. molar refractive index: 45.58

2. molar volume (cm³/mol): 123.4

3. etc. zhang specific volume (90.2k): 347.0

4. surface tension (dyne/cm): 62.4

5. polarizability (10^-24cm³): 18.07

compute chemical data

iv. calculated chemical data:

1. hydrophobic parameter calculation reference value (xlogp): 1.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

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

6. number of heavy atoms: 12

7. surface charge: 0

8. complexity: 186

9. number of isotope atoms: 0

10. determine the number of atomic stereocenters: 0

11. uncertain number of atomic stereocenters: 0

12. determine the number of chemical bond stereocenters: 1

13. number of uncertain stereocenters of chemical bonds: 0

14. number of covalent bond units: 1

properties and stability

1. materials to avoid: oxides.

2. products to be decomposed: carbon monoxide and carbon dioxide.

3. found in flue-cured tobacco leaves.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

1. tobacco: fc, 54.

purpose

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