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METHYL 2-OXO-1-CYCLOHEPTANECARBOXYLATE

Catalog No: FT-0640105

CAS No: 52784-32-4

Chemical Name: METHYL 2-OXO-1-CYCLOHEPTANECARBOXYLATE
Molecular Formula: C9H14O3
Molecular Weight: 170.21
InChI Key: BLNHITXSJKCQGZ-UHFFFAOYSA-N
InChI: InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	52784-32-4
MF:	C9H14O3
Flash_Point:	105.1±25.4 °C
Product_Name:	Methyl 2-Oxo-1-cycloheptanecarboxylate
Density:	1.075±0.06 g/cm3
FW:	170.206
Bolling_Point:	112-114 ºC (10 Torr)

Refractive_Index:	1.4790 (589.3 nm 20 ºC)
Vapor_Pressure:	0.0±0.4 mmHg at 25°C
Flash_Point:	105.1±25.4 °C
LogP:	0.86
Bolling_Point:	112-114 ºC (10 Torr)
Water_Solubility:	Sparingly soluble (12 g/L) (25 ºC)
PSA:	43.37000
Molecular_Structure:	['1 . Molar refractive index 4336 ', '2 . Molar volume 1583 ', '3 . Parachor （902K）3895 ', '4 . Surface tension 366 ', '5 . Polarizability 1719 ', '6 . Dielectric constant 未确定']
Computational_Chemistry:	['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :186 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C9H14O3
Exact_Mass:	170.094299
FW:	170.206
Density:	1.075±0.06 g/cm3
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃）109 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）112-114/10mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1474 ', '8 . Flash point（ºC）>113 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']