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
