CAS No.102790-36-3,4-HYDROXYMETHYL-ISOXAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102790-36-3
Name:	4-HYDROXYMETHYL-ISOXAZOLE
Article Data:	4

Formula:	C₄H₅NO₂
Molecular Weight:	99.0892
Synonyms:	1,3-oxazol-4-ylmethanol;4-Oxazolemethanol;4-(Hydroxymethyl)-1,3-oxazole;
Density:	1.25 g/cm³
Boiling Point:	212.785 °C at 760 mmHg
Flash Point:	82.49 °C
PSA:	46.26000
LogP:	0.16690

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Specification

The 4-Isoxazolemethanol, with the CAS registry number 102790-36-3, has the systematic name of 1,3-oxazol-4-ylmethanol. It is also called 4-(Hydroxymethyl)-1,3-oxazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₄H₅NO₂.

The physical properties of 4-Bromoisoxazole are as followings: (1)ACD/LogP: -0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.26 Å²; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 23.095 cm³; (13)Molar Volume: 79.268 cm³; (14)Polarizability: 9.156×10^-24cm³; (15)Surface Tension: 48.274 dyne/cm; (16)Density: 1.25 g/cm³; (17)Flash Point: 82.49 °C; (18)Enthalpy of Vaporization: 47.473 kJ/mol; (19)Boiling Point: 212.785 °C at 760 mmHg; (20)Vapour Pressure: 0.101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cocn1
(2)InChI: InChI=1/C4H5NO2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
(3)InChIKey: BKHIXCNJVHVHAG-UHFFFAOYAM