dienestrol dienestrol

structural formula

• 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

-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