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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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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