CAS No.6500-65-8,2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6500-65-8
Name:	2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one
Article Data:	29

Formula:	C₁₂H₁₄O₂
Molecular Weight:	190.242
Synonyms:	2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one;7-Methoxybenzosuberone;NSC 105616;
Density:	1.09 g/cm³
Melting Point:	54-56 °C
Boiling Point:	338.2 °C at 760 mmHg
Flash Point:	157.7 °C
Appearance:	yellow crystals
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	26.30000
LogP:	2.60430

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Specification

This chemical is called 2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one, and it can also be named as 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-2-methoxy-. With the molecular formula of C₁₂H₁₄O₂, its molecular weight is 190.24. The CAS registry number of this chemical is 6500-65-8. Additionally, this chemical is yellow crystals.

Other characteristics of the 2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one can be summarised as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 54.45 cm³; (9)Molar Volume: 174.5 cm³; (10)Polarizability: 21.58×10^-24cm³; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.09 g/cm³; (13)Flash Point: 157.7 °C; (14)Enthalpy of Vaporization: 58.16 kJ/mol; (15)Boiling Point: 338.2 °C at 760 mmHg; (16)Vapour Pressure: 9.95E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1ccc(OC)cc1CCCC2
2.InChI: InChI=1/C12H14O2/c1-14-10-6-7-11-9(8-10)4-2-3-5-12(11)13/h6-8H,2-5H2,1H3
3.InChIKey: WLRMIOGKWITDNU-UHFFFAOYAY