3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester supplier

Name
3-(tetrahydro-furan-3-yl)-propionic acid ethyl ester
EINECS
CAS No. 766539-77-9
Article Data2
CAS DataBase
Density 1.011g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₃
Boiling Point 226.1 °C at 760 mmHg
Molecular Weight 172.224
Flash Point 96 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Tetrahydro-furan-3-yl)-propionic acid ethyl ester;3-furanpropanoic acid, tetrahydro-, ethyl ester;Ethyl 3-(tetrahydrofuran-3-yl)propanoate;LogP
PSA 35.53000
LogP 1.36620

3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester Specification

The 3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester, with cas registry number 766539-77-9, has the systematic name of ethyl 3-tetrahydrofuran-3-ylpropanoate. Besides this, it is also called Ethyl 3-(tetrahydrofuran-3-yl)propanoate. And the chemical formula of this chemical is C₉H₁₆O₃.

Physical properties about this chemical are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 35.53 Å²; (9)Index of Refraction: 1.441; (10)Molar Refractivity: 45.05 cm³; (11)Molar Volume: 170.3 cm³; (12)Polarizability: 17.86×10^-24cm³; (13)Surface Tension: 34.5 dyne/cm; (14)Enthalpy of Vaporization: 46.27 kJ/mol; (15)Vapour Pressure: 0.0832 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CCC1CCOC1
(2)InChI: InChI=1/C9H16O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h8H,2-7H2,1H3
(3)InChIKey: NKROAULOSXRIHW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H16O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h8H,2-7H2,1H3
(5)Std. InChIKey: NKROAULOSXRIHW-UHFFFAOYSA-N

Product Name

3-(tetrahydro-furan-3-yl)-propionic acid ethyl ester

3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester Specification

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