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
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