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CAS No.: | 63366-79-0 |
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Name: | 5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI) |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H9NO3 |
Molecular Weight: | 155.153 |
Synonyms: | 5-Isoxazolecarboxylicacid;3-methyl-,ethylester(6CI,7CI,9CI); |
Density: | 1.139 g/cm3 |
Melting Point: | 27-28℃ |
Boiling Point: | 243.3 °C at 760 mmHg |
Flash Point: | 100.9 °C |
PSA: | 52.33000 |
LogP: | 1.15970 |
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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