fennel

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Structural formula of fennel ioin

Structural formula

Business number 03AZ
Molecular formula C16H16O4
Molecular weight 272.3
label

2-Hydroxy-4′-methoxy-2-(4-methoxyphenyl)acetophenone,

p-Anisoin,

4-(CH3O)C6H4CH(OH)COC6H4-4-(OCH3),

Alicyclic compounds

Numbering system

CAS number:119-52-8

MDL number:MFCD00008411

EINECS number:204-330-8

RTECS number:None

BRN number:486157

PubChem number:24891373

Physical property data

1. Characteristics: crystalline powder


2. Density (g/mL,25): Undetermined


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): 112


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC, KPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion upper limit (%,V/V): Undetermined


3 Isotonic specific volume (90.2K):593.3


4 Surface Tension (dyne/cm):45.9


5 Polarizability (10-24cm3):29.99

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 2

6. Topological molecule polar surface area 55.8

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 302

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid withStrong oxidizing agentContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.


Storage areas should be equipped with suitable materials to contain spills.

Synthesis method

None yet

Purpose

None yet

-FAMILY: 宋体; mso-bidi-font-family: Tahoma”>Avoid withStrong oxidantContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.


Storage areas should be equipped with suitable materials to contain spills.

Synthesis method

None yet

Purpose

None yet

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