4-Isoxazolecarboxylicacid, methyl ester supplier

Name
ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 15166-81-1
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₅H₅NO₃
Boiling Point 203.883 °C at 760 mmHg
Molecular Weight 127.1
Flash Point 77.106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-isoxazolecarboxylate;Methyl 1,2-oxazole-4-carboxylate;Methyl isoxazole-4-carboxylate;
PSA 52.33000
LogP 0.46120

4-Isoxazolecarboxylicacid, methyl ester Specification

The 4-Isoxazolecarboxylicacid, methyl ester with CAS registry number of 15166-81-1 is also known as Methyl isoxazole-4-carboxylate. The systematic name is Methyl 1,2-oxazole-4-carboxylate. In addition, the formula is C₅H₅NO₃ and the molecular weight is 127.10.

Physical properties of 4-Isoxazolecarboxylicacid, methyl ester are: (1)ACD/LogP: 0.38; (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): 26; (6)ACD/KOC (pH 7.4): 26; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.33 Å²; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 28.417 cm³; (13)Molar Volume: 103.345 cm³; (14)Polarizability: 11.265×10^-24cm³; (15)Surface Tension: 40.218 dyne/cm; (16)Density: 1.23 g/cm³; (17)Flash Point: 77.106 °C; (18)Enthalpy of Vaporization: 44.011 kJ/mol; (19)Boiling Point: 203.883 °C at 760 mmHg; (20)Vapour Pressure: 0.271 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1conc1
(2)InChI: InChI=1S/C5H5NO3/c1-8-5(7)4-2-6-9-3-4/h2-3H,1H3
(3)InChIKey: LBBXBTTYJMXYIA-UHFFFAOYSA-N

Product Name

ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER

4-Isoxazolecarboxylicacid, methyl ester Specification

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