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| CAS No.: | 89776-75-0 |
|---|---|
| Name: | 5-PROPYL-ISOXAZOLE-3-CARBOXYLIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H9NO3 |
| Molecular Weight: | 155.153 |
| Synonyms: | 5-Propyl-3-isoxazolecarboxylicacid; |
| Density: | 1.218 g/cm3 |
| Boiling Point: | 321.5 °C at 760 mmHg |
| Flash Point: | 148.2 °C |
| PSA: | 63.33000 |
| LogP: | 1.32530 |
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- 910247-97-11,2,3-Trimethylimidazolium dimethyl phosphate
- Total:17 Page 1 of 1 1
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Specification
The 3-Isoxazolecarboxylicacid, 5-propyl-, with the CAS registry number 89776-75-0, is also known as 5-Propyl-3-isoxazolecarboxylic acid. It belongs to the product category of Oxazole. This chemical's molecular formula is C7H9NO3 and molecular weight is 155.15. Its IUPAC name is called 5-propyl-1,2-oxazole-3-carboxylic acid.
Physical properties of 3-Isoxazolecarboxylicacid, 5-propyl-: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): -0.28; (3)ACD/LogD (pH 7.4): -1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.01; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 37.75 cm3; (13)Molar Volume: 127.3 cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.218 g/cm3; (16)Flash Point: 148.2 °C; (17)Enthalpy of Vaporization: 59.46 kJ/mol; (18)Boiling Point: 321.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=CC(=NO1)C(=O)O
(2)InChI: InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)8-11-5/h4H,2-3H2,1H3,(H,9,10)
(3)InChIKey: ZXWHSBZHRVKCGZ-UHFFFAOYSA-N