Methyl 5-methyl-1,2-oxazole-4-carboxylate supplier

Name
4-Isoxazolecarboxylicacid,5-methyl-,methylester(6CI,9CI)
EINECS
CAS No. 100047-54-9
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₃
Boiling Point 211.94 °C at 760 mmHg
Molecular Weight 141.12
Flash Point 81.978 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl5-methylisoxazole-4-carboxylate;methyl 5-methylisoxazole-4-carboxylate;4-isoxazolecarboxylic acid, 5-methyl-, methyl ester;Methyl 5-methyl-1,2-oxazole-4-carboxylate;
PSA 52.33000
LogP 0.76960

Methyl 5-methyl-1,2-oxazole-4-carboxylate Specification

The 4-Isoxazolecarboxylicacid, 5-methyl-, methyl ester, with the CAS registry number 100047-54-9, has the systematic name and IUPAC name of methyl 5-methylisoxazole-4-carboxylate. It belongs to the product category of Carboxylic ester. And the molecular formula of the chemical is C₆H₇NO₃.

The characteristics of 4-Isoxazolecarboxylicacid, 5-methyl-, methyl ester are as followings: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.535; (4)ACD/LogD (pH 7.4): 0.535; (5)ACD/BCF (pH 5.5): 1.501; (6)ACD/BCF (pH 7.4): 1.501; (7)ACD/KOC (pH 5.5): 46.548; (8)ACD/KOC (pH 7.4): 46.548; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 33.242 cm³; (15)Molar Volume: 119.62 cm³; (16)Polarizability: 13.178×10^-24cm³; (17)Surface Tension: 38.463 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 81.978 °C; (20)Enthalpy of Vaporization: 44.824 kJ/mol; (21)Boiling Point: 211.94 °C at 760 mmHg; (22)Vapour Pressure: 0.178 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(cno1)C(=O)OC
(2)InChI: InChI=1/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
(3)InChIKey: AHLBUWIGURZNRZ-UHFFFAOYAB

Product Name

4-Isoxazolecarboxylicacid,5-methyl-,methylester(6CI,9CI)

Methyl 5-methyl-1,2-oxazole-4-carboxylate Specification

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