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852180-63-3

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Basic Information
CAS No.: 852180-63-3
Name: [5-(2-FURYL)ISOXAZOL-3-YL]METHANOL
Article Data: 3
Molecular Structure:
Molecular Structure of 852180-63-3 ([5-(2-FURYL)ISOXAZOL-3-YL]METHANOL)
Formula: C8H7NO3
Molecular Weight: 165.148
Synonyms: [5-(2-Furyl)-1,2-oxazol-3-yl]methanol;
Density: 1.296 g/cm3
Melting Point: 90 °C
Boiling Point: 337.3 °C at 760 mmHg
Flash Point: 157.8 °C
PSA: 59.40000
LogP: 1.42690
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  • 3-Isoxazolemethanol,5-(2-furanyl)-

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    3-Isoxazolemethanol,5-(2-furanyl)-

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  • [5-(2-furyl)isoxazol-3-yl]methanol

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    [5-(2-furyl)isoxazol-3-yl]methanol

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Specification

The 3-Isoxazolemethanol,5-(2-furanyl)-, with the CAS registry number 852180-63-3, is also known as [5-(2-Furyl)-1,2-oxazol-3-yl]methanol. This chemical's molecular formula is C8H7NO3 and molecular weight is 165.15. What's more, its systematic name is called (5-Furan-2-ylisoxazol-3-yl)methanol.

Physical properties about 3-Isoxazolemethanol,5-(2-furanyl)- are: (1) ACD/LogP: 0.44; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 48.4 Å2; (7) Index of Refraction: 1.54; (8) Molar Refractivity: 39.98 cm3; (9) Molar Volume: 127.3 cm3; (10) Surface Tension: 48.6 dyne/cm; (11) Density: 1.296 g/cm3; (12) Flash Point: 157.8 °C; (13) Enthalpy of Vaporization: 61.27 kJ/mol; (14) Boiling Point: 337.3 °C at 760 mmHg; (15) Vapour Pressure: 4.16E-05 mmHg at 25 °C; (16) Melting Point: 90 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: (5-furan-2-ylisoxazol-3-yl)methanol
(2) InChI: InChI=1/C8H7NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-4,10H,5H2
(3) InChIKey: NBBDGNIUCJFJPO-UHFFFAOYAM