CAS No.96835-17-5,Ethyl Tetrahydropyran-4-Carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96835-17-5
Name:	Ethyl Tetrahydropyran-4-Carboxylate

Formula:	C₈H₁₄O₃
Molecular Weight:	158.197
Synonyms:	Ethyltetrahydropyran-4-carboxylate;
Density:	1.043 g/cm³
Boiling Point:	209.5 °C at 760 mmHg
Flash Point:	79.1 °C
PSA:	35.53000
LogP:	0.97610

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Specification

The 2H-Pyran-4-carboxylicacid, tetrahydro-, ethyl ester is an organic compound with the formula C₈H₁₄O₃. The systematic name of this chemical is ethyl tetrahydro-2H-pyran-4-carboxylate. With the CAS registry number 96835-17-5, it is also named as Ethyl oxane-4-carboxylate.

The other characteristics of 2H-Pyran-4-carboxylicacid, tetrahydro-, ethyl ester can be summarized as: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.7; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 70.81; (8)ACD/KOC (pH 7.4): 70.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 40.24 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 15.95×10^-24 cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.043 g/cm³; (19)Flash Point: 79.1 °C; (20)Enthalpy of Vaporization: 44.58 kJ/mol; (21)Boiling Point: 209.5 °C at 760 mmHg; (22)Vapour Pressure: 0.202 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC)C1CCOCC1
2. InChI:InChI=1/C8H14O3/c1-2-11-8(9)7-3-5-10-6-4-7/h7H,2-6H2,1H3
3. InChIKey:BCXINTIRMSZYKA-UHFFFAOYAP