FT-0616166 CAS:17153-20-7 chemical structure

3-Methyl-4-isoxazolecarboxylic acid

Name: 3-Methyl-4-isoxazolecarboxylic acid
Rating: 4.5 (11 reviews)

Catalog No: FT-0616166

CAS No: 17153-20-7

Molecular Formula: 127.1
Formula Weight: C5H5NO3
Inchl Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N
Inchl: InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	3-Methyl-4-isoxazolecarboxylic acid
Flash_Point:	137.4±22.3 °C
Melting_Point:	183-190 ºC
FW:	127.098
Density:	1.3±0.1 g/cm3
CAS:	17153-20-7
Bolling_Point:	303.6±22.0 °C at 760 mmHg
MF:	C5H5NO3

Molecular_Structure:	['1 . Molar refractive index 2839 ', '2 . Molar volume （m3/mol）942 ', '3 . Parachor （902K）2551 ', '4 表面张力（30 dyne/cm）537 ', '5 . Polarizability （05 10 -24cm 3）1125']
Flash_Point:	137.4±22.3 °C
Refractive_Index:	1.514
FW:	127.098
Density:	1.3±0.1 g/cm3
Bolling_Point:	303.6±22.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :03 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 633 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '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']
LogP:	0.22
Melting_Point:	183-190 ºC
PSA:	63.33000
MF:	C5H5NO3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）185-187 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Exact_Mass:	127.026939