ISOQUINOLINE-3-CARBOXYLIC ACID HYDRATE


Catalog No:   FT-0627510

CAS No:   207399-25-5

  • Molecular Formula:  172.16
  • Formula Weight: C10H6NO2-
  • Inchl Key: KVMMIDQDXZOPAB-UHFFFAOYSA-M
  • Inchl: InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)/p-1

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 3-Isoquinolinecarboxylic acid hydrate (1:1)
Bolling_Point: 366.4ºC at 760 mmHg
Density: N/A
MF: C10H9NO3
CAS: 207399-25-5
Melting_Point: 166-168 °C(lit.)
Flash_Point: N/A
FW: 191.183
MF: C10H9NO3
Bolling_Point: 366.4ºC at 760 mmHg
Exact_Mass: 191.058243
More_Info: ['1 . Appearance 粉末 2 . Density(g/mL20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)166-168 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC20mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(º ºF)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
Melting_Point: 166-168 °C(lit.)
PSA: 59.42000
Computational_Chemistry: ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 53 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :-1 ', '9. Complexity :200 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
FW: 191.183
LogP: 1.86870
Vapor_Pressure: 5.15E-06mmHg at 25°C
Risk_Statements(EU): R36/37/38
WGK_Germany: 3
Hazard_Codes: Xi
Safety_Statements: S26-S37/39-S37

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