Isoxazole-3-carboxylic acid methyl ester supplier

Name
3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)
EINECS
CAS No. 25742-68-1
Density 1.229 g/cm³
Solubility
Melting Point
Formula C₅H₅NO₃
Boiling Point 203.9 °C at 760 mmHg
Molecular Weight 127.1
Flash Point 77.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI);Methyl isoxazole-3-carboxylate;3-Isoxazolecarboxylic acid, methyl ester;
PSA 52.33000
LogP 0.46120

Isoxazole-3-carboxylic acid methyl ester Specification

The Isoxazole-3-carboxylic acid methyl ester with CAS registry number of 25742-68-1 is also known as 3-Isoxazolecarboxylic acid, methyl ester. The systematic name is Methyl isoxazole-3-carboxylate. It belongs to product categories of Acidhalide. In addition, the formula is C₅H₅NO₃ and the molecular weight is 127.10.

Physical properties about Isoxazole-3-carboxylic acid methyl ester are: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.61; (7)ACD/KOC (pH 7.4): 25.61; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 28.41 cm³; (12)Molar Volume: 103.3 cm³; (13)Surface Tension: 40.2 dyne/cm; (14)Density: 1.229 g/cm³; (15)Flash Point: 77.1 °C; (16)Enthalpy of Vaporization: 44.01 kJ/mol; (17)Boiling Point: 203.9 °C at 760 mmHg; (18)Vapour Pressure: 0.271 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: COC(=O)c1ccon1
2. InChI: InChI=1/C5H5NO3/c1-8-5(7)4-2-3-9-6-4/h2-3H,1H3
3. InChIKey: BELORUTWNZRKML-UHFFFAOYAT
4. Std. InChI: InChI=1S/C5H5NO3/c1-8-5(7)4-2-3-9-6-4/h2-3H,1H3
5. Std. InChIKey: BELORUTWNZRKML-UHFFFAOYSA-N

Product Name

3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)

Isoxazole-3-carboxylic acid methyl ester Specification

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