5-(4-Methylphenyl)isoxazole-3-carboxylic acid

Catalog No: FT-0698258

CAS No: 33282-21-2

Chemical Name: 5-(4-Methylphenyl)isoxazole-3-carboxylic acid
Molecular Formula: C11H9NO3
Molecular Weight: 203.19
InChI Key: DDCNRVJWVNUYDO-UHFFFAOYSA-N
InChI: InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
Flash_Point:	216ºC
Melting_Point:	184ºC (dec.)(lit.)
FW:	203.19400
Density:	1.273g/cm3
CAS:	33282-21-2
Bolling_Point:	433.5ºC at 760 mmHg
MF:	C11H9NO3

Molecular_Structure:	['1 . Molar refractive index 5299 ', '2 . Molar volume 1595 ', '3 . Parachor （902K）4285 ', '4 . Surface tension 520 ', '5 . Polarizability 2100 ', '6 . Dielectric constant 未确定']
Flash_Point:	216ºC
Refractive_Index:	1.578
FW:	203.19400
Density:	1.273g/cm3
Bolling_Point:	433.5ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 633 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :236 ', '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:	2.34820
Melting_Point:	184ºC (dec.)(lit.)
PSA:	63.33000
MF:	C11H9NO3
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）184 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
Exact_Mass:	203.05800