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74525-43-2

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Basic Information
CAS No.: 74525-43-2
Name: alpha-Pinene oxide
Molecular Structure:
Molecular Structure of 74525-43-2 (alpha-Pinene oxide)
Formula: C10H16O
Molecular Weight: 152.24
Synonyms: 2-Oxatricyclo[4.1.1.01,3]octane,3,7,7-trimethyl- (9CI);Chebi:29060;Alpha-pinene oxide;(-)-alpha-pinene oxide;
EINECS: 216-869-6
Density: 0.964g/cm3
Boiling Point: 102-103 ºC (50 mmHg)
Flash Point: 65 ºC
Appearance: colorless liquid
PSA: 12.53000
LogP: 2.20990
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Specification

The alpha-Pinene oxide with cas registry number of 74525-43-2, has systematic name of 2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane. And it is also called 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octan. Its refractive index is 1.448-1.456.

Physical properties about this chemical are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.67; (6)ACD/BCF (pH 7.4): 23.67; (7)ACD/KOC (pH 5.5): 335.19; (8)ACD/KOC (pH 7.4): 335.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 43.92 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 17.41×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Enthalpy of Vaporization: 40.75 kJ/mol; (19)Vapour Pressure: 0.819 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O1C2(C)C3CC(CC12)C3(C)C;
(2)InChI: InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3;
(3)InChIKey: NQFUSWIGRKFAHK-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3;
(5)Std. InChIKey: NQFUSWIGRKFAHK-UHFFFAOYSA-N.