Name: 5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID
SKU: 98434-06-1

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Basic Information

Molecular Structure:
CAS No.:	98434-06-1
Name:	5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID
Article Data:	5

Formula:	C₈H₅NO₄
Molecular Weight:	179.132
Synonyms:	3-Isoxazolecarboxylic acid, 5-(2-furanyl)-;5-(2-Furyl)-1,2-oxazole-3-carboxylic acid;
Density:	1.42 g/cm³
Melting Point:	151 °C
Boiling Point:	418.4 °C at 760 mmHg
Flash Point:	206.8 °C
Risk Codes:	36/37/38
Safety:	22-26-36/37/39
PSA:	76.47000
LogP:	1.63280

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Specification

The 5-Furan-2-yl-isoxazole-3-carboxylic acid, with the CAS registry number 98434-06-1, is also known as 3-Isoxazolecarboxylic acid, 5-(2-furanyl)-. It belongs to the product category of Oxazole & Isoxazole. This chemical's molecular formula is C₈H₅NO₄ and molecular weight is 179.13. What's more, its systematic name is 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid.

Physical properties of 5-Furan-2-yl-isoxazole-3-carboxylic acid are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.47 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 40.46 cm³; (15)Molar Volume: 126 cm³; (16)Polarizability: 16.04×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 206.8 °C; (20)Enthalpy of Vaporization: 70.84 kJ/mol; (21)Boiling Point: 418.4 °C at 760 mmHg; (22)Vapour Pressure: 9.5E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2noc(c1occc1)c2
(2)Std. InChI: InChI=1S/C8H5NO4/c10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
(3)Std. InChIKey: MLWFYCMVBAIITM-UHFFFAOYSA-N