Dienestrol Dienestrol
Structural formula
| Business number | 01UH |
|---|---|
| Molecular formula | C18H18O2 |
| Molecular weight | 266.33 |
| label |
2,3-Diphenolbutadiene, Double dilute female powder, 3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene |
Numbering system
CAS number:84-17-3
MDL number:MFCD00050983
EINECS number:201-519-7
RTECS number:SL0580000
BRN number:2053694
PubChem number:24893737
Physical property data
1. Physical property data
1. Character: colorless fine crystal
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL, Air=1): Unsure
4. Melting point (ºC):227 ～228℃
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
MOUSE: 400 mg/kg;
Yeast: 5600 umol/L
Hamster embryo: 3mg/L; Hamster fiber cells: 75 umol/L
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 83.28
2. Molar Volume (m3/mol）：235.8
3. isotonic specific volume (90.2K):619.0
4. Surface Tension (dyne/cm):47.4
5. Polarizability（10-24cm3):33.01
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 6
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 318
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: 2
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
-INDENT: -54.75pt; TEXT-ALIGN: left; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1″ align =left>5. Polarizability(10-24cm3): 33.01
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 6
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 318
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: 2
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
