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Structural formula of double dilute female powder

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. Polarizability10-24cm3):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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/41388

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