1,2-Benzisoxazole-3-carboxylicacid, ethyl ester supplier

Name
1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 57764-49-5
Article Data9
CAS DataBase
Density 1.241g/cm³
Solubility
Melting Point 59 °C
Formula C₁₀H₉NO₃
Boiling Point 307 °C at 760 mmHg
Molecular Weight 191.18
Flash Point 139.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl1,2-benzisoxazole-3-carboxylate;Ethyl benzisoxazole-3-carboxylate;
PSA 52.33000
LogP 2.00450

1,2-Benzisoxazole-3-carboxylicacid, ethyl ester Specification

This chemical is called 1,2-Benzisoxazole-3-carboxylicacid, ethyl ester, and its systematic name is ethyl 1,2-benzisoxazole-3-carboxylate. With the molecular formula of C₁₀H₉NO₃, its molecular weight is 191.18. The CAS registry number of this chemical is 57764-49-5.

Other characteristics of the 1,2-Benzisoxazole-3-carboxylicacid, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.87; (6)ACD/BCF (pH 7.4): 24.87; (7)ACD/KOC (pH 5.5): 347.24; (8)ACD/KOC (pH 7.4): 347.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 50.89 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 20.17×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 139.5 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.000745 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2noc1ccccc12
2.InChI: InChI=1/C10H9NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)14-11-9/h3-6H,2H2,1H3
3.InChIKey: IRTACBSCHHOIPA-UHFFFAOYAT

Product Name

1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

1,2-Benzisoxazole-3-carboxylicacid, ethyl ester Specification

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