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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