ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
structural formula
| business number | 05u1 |
|---|---|
| molecular formula | c9h11f3o4 |
| molecular weight | 240.18 |
| label |
ethoxy-2-methylenetrifluoroacetoacetate, medicine |
numbering system
cas number:571-55-1
mdl number:mfcd02677683
einecs number:none
rtecs number:none
brn number:none
pubchem number:24867645
physical property data
1. physical property data
1. density (g/ml ,25/4℃)：1.235
2. flashpoint ():104
3. boiling point (ºc,1mmhg ): 80-82
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 47.65
2. molar volume (m3/mol）：193.8
3. isotonic specific volume (90.2k):446.6
4. surface tension (dyne/cm):28.1
5. polarizability（10-24cm3):18.89
compute chemical data
4. calculated chemical data:
1. hydrophobic parameters calculate reference value (xlogp）：3.5
2. hydrogen bonding number of donors: 1
3. hydrogen bonding number of receptors: 2
4. rotatable number of chemical bonds: 4
5. topological molecules polar surface area (tpsa）：37.3
6. heavy atoms quantity: 15
7. surface charge ：0
8. complexity ：203
9. isotope atomic number:0
10. determine the number of atomic stereocenters:0
11. uncertain number of atomic stereocenters:1
12. determine the number of stereocenters of chemical bonds:0
13. uncertain number of chemical bond stereocenters:0
14. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
