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CAS No.: | 1006-65-1 |
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Name: | 3-Phenylisoxazole |
Article Data: | 48 |
Molecular Structure: | |
Formula: | C9H7NO |
Molecular Weight: | 145.161 |
Synonyms: | 3-phenyl-1,2-oxazole |
Density: | 1.11 g/cm3 |
Boiling Point: | 279.6 °C at 760 mmHg |
Flash Point: | 127.4 °C |
PSA: | 26.03000 |
LogP: | 2.34160 |
The Isoxazole, 3-phenyl-, with the CAS registry number 1006-65-1, is also known as 3-Phenylisoxazole. This chemical's molecular formula is C9H7NO and molecular weight is 145.15798. Its IUPAC name is called 3-phenyl-1,2-oxazole.
Physical properties of Isoxazole, 3-phenyl-: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.68; (4)ACD/BCF (pH 5.5): 11.18; (5)ACD/BCF (pH 7.4): 11.18; (6)ACD/KOC (pH 5.5): 195.91; (7)ACD/KOC (pH 7.4): 195.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 41.23 cm3; (12)Molar Volume: 130.7 cm3; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.11 g/cm3; (15)Flash Point: 127.4 °C; (16)Enthalpy of Vaporization: 49.75 kJ/mol; (17)Boiling Point: 279.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00675 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NOC=C2
(2)InChI: InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
(3)InChIKey: ZBRDJMFLJXFIGJ-UHFFFAOYSA-N