5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester supplier

Name
5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI)
EINECS
CAS No. 63366-79-0
Article Data12
CAS DataBase
Density 1.139 g/cm³
Solubility
Melting Point 27-28℃
Formula C₇H₉NO₃
Boiling Point 243.3 °C at 760 mmHg
Molecular Weight 155.153
Flash Point 100.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Isoxazolecarboxylicacid;3-methyl-,ethylester(6CI,7CI,9CI);
PSA 52.33000
LogP 1.15970

5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester Specification

The CAS register number of 5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester is 63366-79-0. It also can be called as 5-Isoxazolecarboxylicacid and the systematic name about this chemical is ethyl 3-methylisoxazole-5-carboxylate. The molecular formula about this chemical is C₇H₉NO₃ and the molecular weight is 155.1513. It belongs to the following product categorie which include Oxazole.

Physical properties about 5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.69; (5)ACD/BCF (pH 7.4): 3.69; (6)ACD/KOC (pH 5.5): 88.66; (7)ACD/KOC (pH 7.4): 88.66; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.33 Å²; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 37.87 cm³; (13)Molar Volume: 136.1 cm³; (14)Polarizability: 15.01x10^-24cm³; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.139 g/cm³; (17)Flash Point: 100.9 °C; (18)Enthalpy of Vaporization: 48.03 kJ/mol; (19)Boiling Point: 243.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0324 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1onc(c1)C
(2)InChI: InChI=1/C7H9NO3/c1-3-10-7(9)6-4-5(2)8-11-6/h4H,3H2,1-2H3
(3)InChIKey: LPMIZTNZMHVVSS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)8-11-6/h4H,3H2,1-2H3
(5)Std. InChIKey: LPMIZTNZMHVVSS-UHFFFAOYSA-N

Product Name

5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI)

5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester Specification

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