Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl- |
EINECS | N/A |
CAS No. | 17153-21-8 | Density | 1.274 g/cm3 |
PSA | 63.33000 | LogP | 2.34820 |
Solubility | N/A | Melting Point |
189℃ |
Formula | C11H9NO3 | Boiling Point | 362.079 °C at 760 mmHg |
Molecular Weight | 203.197 | Flash Point | 172.779 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Methyl-5-phenylisoxazole-4-carboxylicacid; |
Article Data | 4 |
The 4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl- is an organic compound with the formula C11H9NO3. The IUPAC name of this chemical is 3-Methyl-5-phenyl-1,2-oxazole-4-carboxylic acid. With the CAS registry number 17153-21-8, it is also named as 3-Methyl-5-phenylisoxazole-4-carboxylicacid. Besides, its molecular weight is 203.19.
Physical properties about 4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl- are: (1)ACD/LogP: 2.68; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.33 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 52.991 cm3; (12)Molar Volume: 159.541 cm3; (13)Polarizability: 21.007×10-24 cm3; (14)Surface Tension: 52.052 dyne/cm; (15)Density: 1.274 g/cm3; (16)Flash Point: 172.779 °C; (17)Enthalpy of Vaporization: 64.149 kJ/mol; (18)Boiling Point: 362.079 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
(2)InChIKey: GLNQCTGGLIXRRJ-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
(4)Std. InChIKey: GLNQCTGGLIXRRJ-UHFFFAOYSA-N