CAS No.694-98-4,Norcamphor, dehydro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	694-98-4
Name:	Norcamphor, dehydro-
Article Data:	60

Formula:	C₇H₈O
Molecular Weight:	108.14
Synonyms:	5-Norbornen-2-one(6CI,7CI,8CI);(?à)-Bicyclo[2.2.1]hept-5-en-2-one;(?à)-Norborn-5-en-2-one;2-Norbornen-5-one;2-Norbornenone;2-Oxo-5-norbornene;Dehydronorcamphor;NSC152327;Norcamphor, dehydro-;
Density:	1.138 g/cm³
Boiling Point:	182.1 °C at 760 mmHg
Flash Point:	63.5 °C
PSA:	17.07000
LogP:	1.15150

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Specification

This chemical is called Bicyclo[2.2.1]hept-5-en-2-one, and it can also be named as Dehydronorcamphor. With the molecular formula of C₇H₈O, its molecular weight is 108.14. The CAS registry number of this chemical is 694-98-4. This chemical's IUPAC name is bicyclo[2.2.1]hept-2-en-5-one.

Other characteristics of the Bicyclo[2.2.1]hept-5-en-2-one can be summarised as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.22; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 40.1; (8)ACD/KOC (pH 7.4): 40.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 30.06 cm³; (15)Molar Volume: 95 cm³; (16)Polarizability: 11.92×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 63.5 °C; (20)Enthalpy of Vaporization: 41.84 kJ/mol; (21)Boiling Point: 182.1 °C at 760 mmHg; (22)Vapour Pressure: 0.824 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CC2\C=C/C1C2
2.InChI: InChI=1/C7H8O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2
3.InChIKey: HUQXEIFQYCVOPD-UHFFFAOYAR