m-hydroxycinnamic acid
Structural formula
| Business number | 05ZC |
|---|---|
| Molecular formula | C9H8O3 |
| Molecular weight | 164.16 |
| label |
m-coumaric acid, Hydroxyphenyl acrylic acid, 99%, 3-Hydroxyphenyl acrylic acid, m-Coumaric acid, 3-(3-Hydroxyphenyl)-2-propenoic acid, cinnamic acid, acidic solvent |
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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