3,5-dimethoxy-4-hydroxybenzaldehyde
structural formula
| business number | 03pt |
|---|---|
| molecular formula | c9h10o4 |
| molecular weight | 182 |
| label |
syringaldehyde, syringaldehyde, 4-hydroxy-3,5-dimethoxybenzaldehyde, syringic aldehyde, aromatic compounds |
numbering system
cas number:134-96-3
mdl number:mfcd00006943
einecs number:205-167-5
rtecs number:cu5760000
brn number:784514
pubchem number:24888572
physical property data
1. boiling point (ºc): 192~193(1866pa)
2. melting point (ºc): 110~113
3. relative density (d20 4) ：1.234
toxicological data
acute toxicity data:
mouse abdominal ld50: 1mg/kg
ecological data
none
molecular structure data
molecular property data:
1. molar refractive index: 48.24
2. molar volume (cm3/mol): 147.5
3. isotonic specific volume (90.2k): 380.6
4. surface tension (3.0 dyne/cm): 44.3
5. polarizability (0.5 10-24cm3): 19.12
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 55.8
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 157
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
1. exist in tobacco leaves and mainstream smoke.
storage method
none
synthesis method
none
purpose
none