3-ISOCHROMANONE

Catalog No: FT-0635258

CAS No: 4385-35-7

Chemical Name: 3-ISOCHROMANONE
Molecular Formula: C9H8O2
Molecular Weight: 148.16 g/mol
InChI Key: ILHLUZUMRJQEAH-UHFFFAOYSA-N
InChI: InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2

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:	80-82 °C(lit.)
CAS:	4385-35-7
MF:	C9H8O2
Flash_Point:	137.7±22.2 °C
Product_Name:	3-Isochromanone
Density:	1.2±0.1 g/cm3
FW:	148.159
Bolling_Point:	332.6±31.0 °C at 760 mmHg

Refractive_Index:	1.562
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	137.7±22.2 °C
LogP:	0.75
Bolling_Point:	332.6±31.0 °C at 760 mmHg
PSA:	26.30000
Molecular_Structure:	['1 . Molar refractive index 4016 ', '2 . Molar volume （m3/mol）1238 ', '3 . Parachor （902K）3180 ', '4 . Surface tension 435 ', '5 . Polarizability （10 -24cm 3）1592']
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :165 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	80-82 °C(lit.)
MF:	C9H8O2
Exact_Mass:	148.052429
FW:	148.159
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance 米色粉末 ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）82-84 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 1mmHg）130 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']