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16325-23-8

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Basic Information
CAS No.: 16325-23-8
Name: 2-methyl-7-oxabicyclo[2.2.1]heptane
Molecular Structure:
Molecular Structure of 16325-23-8 (2-methyl-7-oxabicyclo[2.2.1]heptane)
Formula: C7H12O
Molecular Weight: 112.172
Synonyms: 7-Oxabicyclo[2.2.1]heptane,2-methyl-, exo- (8CI,9CI);exo-2-Methyl-7-oxabicyclo[2.2.1]heptane;
Density: 0.964 g/cm3
Boiling Point: 141.2 °C at 760 mmHg
Flash Point: 26.7 °C
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  • 7-Oxabicyclo[2.2.1]heptane,2-methyl-, (1R,2S,4S)-rel-

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    16325-23-8

    7-Oxabicyclo[2.2.1]heptane,2-methyl-, (1R,2S,4S)-rel-

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Specification

The 7-Oxabicyclo[2.2.1]heptane,2-methyl-, (1R,2S,4S)-rel- is an organic compound with the formula C7H12O. The IUPAC name of this chemical is 3-Methyl-7-oxabicyclo[2.2.1]heptane. With the CAS registry number 16325-23-8, it is also named as Exo-2-methyl-7-oxabi-cyclo(2.2.1)heptane. Besides, its molecular weight is 112.1696.

Physical properties about 7-Oxabicyclo[2.2.1]heptane,2-methyl-, (1R,2S,4S)-rel- are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.13; (5)ACD/BCF (pH 7.4): 5.13; (6)ACD/KOC (pH 5.5): 112.19; (7)ACD/KOC (pH 7.4): 112.19; (8)#H bond acceptors: 1; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.463; (11)Molar Refractivity: 32.03 cm3; (12)Molar Volume: 116.2 cm3; (13)Polarizability: 12.7×10-24 cm3; (14)Surface Tension: 30.3 dyne/cm; (15)Density: 0.964 g/cm3; (16)Flash Point: 26.7 °C; (17)Enthalpy of Vaporization: 36.28 kJ/mol; (18)Boiling Point: 141.2 °C at 760 mmHg; (19)Vapour Pressure: 7.39 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3
(2)InChIKey: YSPMLGNTRGMJLE-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3
(4)Std. InChIKey: YSPMLGNTRGMJLE-UHFFFAOYSA-N