3-Isoxazolecarboxylic acid supplier

Name
3-Isoxazolecarboxylic acid
EINECS
CAS No. 3209-71-0
Density 1.449 g/cm³
Solubility
Melting Point 149 °C
Formula C₄H₃NO₃
Boiling Point 321.2 °C at 760 mmHg
Molecular Weight 113.073
Flash Point 148.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-ISOXAZOLECARBOXYLIC ACID;AKOS PAO-1373;ISOXAZOLE-3-CARBOXYLIC ACID;1,2-Oxazole-3-carboxylic acid;isoxazole-3-carboxylic acid(SALTDATA: FREE);1,2-Oxazole-3-carboxylic acid, 3-Carboxyisoxazole
PSA 63.33000
LogP 0.37280

3-Isoxazolecarboxylic acid Specification

The 3-Isoxazolecarboxylic acid is an organic compound with the formula C₄H₃NO₃. With the systematic name 1,2-oxazole-3-carboxylic acid, it is also named as Isoxazole-3-carboxylic acid. The CAS registry number of this chemical is 3209-71-0. Moreover, it belongs to the product category Oxazole & Isoxazole.

Other characteristics of the 3-Isoxazolecarboxylic acid can be summarised as followings: (1)ACD/LogP: 0.22; (2)ACD/LogD (pH 5.5): -1.86; (3)ACD/LogD (pH 7.4): -2.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 52.33 Å²; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 23.57 cm³; (14)Molar Volume: 77.9 cm³; (15)Polarizability: 9.34×10^-24cm³; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.449 g/cm³; (18)Flash Point: 148.1 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 321.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nocc1
(2)InChI: InChI=1/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
(3)InChIKey: UXYRXGFUANQKTA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
(5)Std. InChIKey: UXYRXGFUANQKTA-UHFFFAOYSA-N

Product Name

3-Isoxazolecarboxylic acid

3-Isoxazolecarboxylic acid Specification

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