Basic information
- Name:
Phenol,4-[(tetrahydro-2H-pyran-2-yl)oxy]-
- Superlist Name:
- Deoxyarbutin
- CAS No.:
53936-56-4
- Molecular Structure:
![Molecular Structure of 53936-56-4 (Phenol,4-[(tetrahydro-2H-pyran-2-yl)oxy]-)](http://www.lookchem.com/300w/2010/0710/53936-56-4.jpg)
- Formula:
- C11H14O3
- Molecular Weight:
- 194.23
- Synonyms:
- 4-(Tetrahydro-2H-pyran-2-yloxy)phenol;
- Density:
- 1.174 g/cm3
- Boiling Point:
- 349.779 °C at 760 mmHg
- Flash Point:
- 165.341 °C
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Specification
The Deoxyarbutin with CAS registry number of 53936-56-4 is also known as Phenol,4-[(tetrahydro-2H-pyran-2-yl)oxy]-. The systematic name is 4-(Tetrahydro-2H-pyran-2-yloxy)phenol. In addition, the formula is C11H14O3 and the molecular weight is 194.23.
Physical properties about Deoxyarbutin are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 38.69 Å2; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 52.841 cm3; (9)Molar Volume: 165.414 cm3; (10)Polarizability: 20.948×10-24cm3; (11)Surface Tension: 46.085 dyne/cm; (12)Density: 1.174 g/cm3; (13)Flash Point: 165.341 °C; (14)Enthalpy of Vaporization: 61.778 kJ/mol; (15)Boiling Point: 349.779 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. SMILES: O(c1ccc(O)cc1)C2OCCCC2
2. InChI: InChI=1/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
3. InChIKey: GFBCWCDNXDKFRH-UHFFFAOYAE
4. Std. InChI: InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
5. Std. InChIKey: GFBCWCDNXDKFRH-UHFFFAOYSA-N