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CAS 43120-28-1 Methyl 1H-indazole-3-carboxylate 

Density 1.3±0.1 g/cm3
Boiling point 413.1±40.0 °C at 760 mmHg
Melting point 208-211ºC
Molecular formula C9H13NO3
Molecular weight 183.204
Flash point 207.9±17.9 °C
Exact mass 183.089539
PSA 72.72000
LogP -0.63
Appearance White to light yellow fine crystalline powder
Vapor pressure 0.0±1.0 mmHg at 25°C
Refractive index 1.608
Storage conditions
Store in a nitrogen-filled, sealed, cool and dark place.

Molecular structure
1. Molar refractive index: 49.33

2. Molar volume (cm3/mol): 142.6

3. Isotonic volume (90.2K): 397.0

4. Surface tension (dyne/cm): 59.9

5. Polarizability (10-24cm3): 19.55

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 10

6. Topological molecular polar surface area 72.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 154

10. Number of isotopic atoms: 0

11. Number of determined atomic stereocenters: 1

12. Number of uncertain atomic stereocenters: 0

13. Number of determined chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

More

1. Properties: white crystalline powder.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 211-212

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º, C = 2, 0.6mol / L hydrochloric acid): -50 ~ -53.5

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

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Logarithm of oil-water (octanol/water) partition coefficient: Undetermined

17. Upper explosion limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in mineral acid and alkali hydroxide solution, slightly soluble in water, insoluble in alcohol, ether, acetone, chloroform. Odorless, bitter taste. The color gradually darkens when exposed to air and light.
 

Ethyl 3-oxo-4-phenylbutanoate CAS No 718-08-1 with low price

 

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