Name: ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE
SKU: 57764-50-8

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Basic Information

Molecular Structure:
CAS No.:	57764-50-8
Name:	ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE

Formula:	C₁₀H₉NO₄
Molecular Weight:	207.186
Synonyms:	Ethyl 6-hydroxy-1,2-benzoxazole-3-carboxylate;
Density:	1.359 g/cm³
Boiling Point:	375.5 °C at 760 mmHg
Flash Point:	180.9 °C
PSA:	72.56000
LogP:	1.71010

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Specification

The CAS registry number of 1,2-Benzisoxazole-3-carboxylicacid, 6-hydroxy-, ethyl ester is 57764-50-8. The systematic name is Ethyl 6-hydroxy-1,2-benzoxazole-3-carboxylate. In addition, the molecular formula is C₁₀H₉NO₄ and the molecular weight is 207.18. What's more, it should be stored in a cool and dry place.

Physical properties about 1,2-Benzisoxazole-3-carboxylicacid, 6-hydroxy-, ethyl ester are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 6.83; (5)ACD/BCF (pH 7.4): 5.1; (6)ACD/KOC (pH 5.5): 137.46; (7)ACD/KOC (pH 7.4): 102.71; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.56 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 52.77 cm³; (14)Molar Volume: 152.3 cm³; (15)Polarizability: 20.92 ×10^-24cm³; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.359 g/cm³; (18)Flash Point: 180.9 °C; (19)Enthalpy of Vaporization: 64.75 kJ/mol; (20)Boiling Point: 375.5 °C at 760 mmHg; (21)Vapour Pressure: 3.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c2ccc(cc2on1)O
(2)InChI: InChI=1/C10H9NO4/c1-2-14-10(13)9-7-4-3-6(12)5-8(7)15-11-9/h3-5,12H,2H2,1H3
(3)InChIKey: CZGDDLABXCFMQI-UHFFFAOYAU