structural formula
business number | 06j4 |
---|---|
molecular formula | c7h10o4 |
molecular weight | 158.15 |
label |
dimethyl citraconic acid |
numbering system
cas number:617-54-9
mdl number:none
einecs number:none
rtecs number:ge6700000
brn number:none
pubchem id:none
physical property data
1. physical property data
1. boiling point (ºc, normal pressure): 210 ºc
2. density: 1.11 g/ml at 25 °c (lit.)
3. relative density (20℃, 4℃): 1.1153
4. relative density (25℃, 4℃): 1.105630
5. refractive index at room temperature (n20): 1.4473
toxicological data
none yet
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
5. molecular property data:
1. molar refractive index: 37.92
2. molar volume (cm3/mol): 144.4
3. isotonic specific volume (90.2k): 343.5
4. surface tension (dyne/cm): 31.9
5. polarizability (10-24cm3): 15.03
compute chemical data
iv. calculated chemical data:
1. hydrophobic parameter calculation reference value (xlogp): 0.6
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 4
5. topological molecular polar surface area (tpsa): 52.6
6. number of heavy atoms: 11
7. surface charge: 0
8. complexity: 193
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
properties and stability:
the product may not decompose under normal temperature and pressure.
storage method
storage:
seal the container and store it in a sealed main container in a cool, dry place.
synthesis method
none yet
purpose
none yet