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125130-98-5

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Basic Information
CAS No.: 125130-98-5
Name: 2-(2-Ethynylphenoxy)tetrahydro-2H-pyran
Article Data: 5
Molecular Structure:
Molecular Structure of 125130-98-5 (2-(2-Ethynylphenoxy)tetrahydro-2H-pyran)
Formula: C13H14O2
Molecular Weight: 202.253
Density: 1.09 g/cm3
Boiling Point: 326 °C at 760 mmHg
Flash Point: 133.8 °C
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Specification

This chemical is called 2-(2-Ethynylphenoxy)tetrahydro-2H-pyran, and it's also named as 2H-pyran, 2-(2-ethynylphenoxy)tetrahydro-. With the molecular formula of C13H14O2, its molecular weight is 202.2491. The CAS registry number of this chemical is 125130-98-5.

Other characteristics of the 2-(2-Ethynylphenoxy)tetrahydro-2H-pyran can be summarised as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.64; (6)ACD/BCF (pH 7.4): 33.64; (7)ACD/KOC (pH 5.5): 431.03; (8)ACD/KOC (pH 7.4): 431.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 58.38 cm3; (15)Molar Volume: 183.9 cm3; (16)Polarizability: 23.14×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 54.56 kJ/mol; (21)Boiling Point: 326 °C at 760 mmHg; (22)Vapour Pressure: 0.000422 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: C#Cc1ccccc1OC2CCCCO2
2.InChI: InChI=1/C13H14O2/c1-2-11-7-3-4-8-12(11)15-13-9-5-6-10-14-13/h1,3-4,7-8,13H,5-6,9-10H2
3.InChIKey: CRBFDLCMFUQUEE-UHFFFAOYAR