CAS No.823-02-9,BICYCLO[3.2.1]-2-OCTENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	823-02-9
Name:	BICYCLO[3.2.1]-2-OCTENE
Article Data:	2

Formula:	C₈H₁₂
Molecular Weight:	108.183
Synonyms:	NSC 76147;
Density:	0.93 g/cm³
Melting Point:	39°C
Boiling Point:	138.3 °C at 760 mmHg
Flash Point:	18.5 °C
Safety:	23-24/25
PSA:	0.00000
LogP:	2.36260

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Specification

The Bicyclo[3.2.1]oct-2-ene, with CAS registry number 823-02-9, has the systematic name of bicyclo[3.2.1]oct-2-ene. Besides this, it is also called Bicyclo[3.2.1]-2-octene. And the chemical formula of this chemical is C₈H₁₂. When use it, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of Bicyclo[3.2.1]oct-2-ene: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194.03; (6)ACD/BCF (pH 7.4): 194.03; (7)ACD/KOC (pH 5.5): 1511.03; (8)ACD/KOC (pH 7.4): 1511.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 34.54 cm³; (15)Molar Volume: 116.2 cm³; (16)Polarizability: 13.69×10^-24cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.93 g/cm³; (19)Flash Point: 18.5 °C; (20)Enthalpy of Vaporization: 36.01 kJ/mol; (21)Boiling Point: 138.3 °C at 760 mmHg; (22)Vapour Pressure: 8.41 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C\1=C\CC2CC/1CC2
(2)InChI: InChI=1/C8H12/c1-2-7-4-5-8(3-1)6-7/h1-2,7-8H,3-6H2
(3)InChIKey: YEHSTKKZWWSIMD-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h1-2,7-8H,3-6H2
(5)Std. InChIKey: YEHSTKKZWWSIMD-UHFFFAOYSA-N