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| CAS No.: | 17153-21-8 |
|---|---|
| Name: | 3-METHYL-5-PHENYL-4-ISOXAZOLECARBOXYLIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C11H9NO3 |
| Molecular Weight: | 203.197 |
| Synonyms: | 3-Methyl-5-phenylisoxazole-4-carboxylicacid; |
| Density: | 1.274 g/cm3 |
| Melting Point: | 189℃ |
| Boiling Point: | 362.079 °C at 760 mmHg |
| Flash Point: | 172.779 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 63.33000 |
| LogP: | 2.34820 |
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- Total:32 Page 1 of 1 1
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Specification
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