7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 98

Catalog No: FT-0657817

CAS No: 54431-13-9

Chemical Name: 7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 98
Molecular Formula: C16H12O3
Molecular Weight: 252.26
InChI Key: JILNSPBYFPSJRO-UHFFFAOYSA-N
InChI: InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)19-16(10)18/h2-9,17H,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

Product_Name:	7-hydroxy-3-methyl-4-phenylchromen-2-one
Flash_Point:	200.6ºC
Melting_Point:	223-228ºC(lit.)
FW:	252.26500
Density:	1.289g/cm3
CAS:	54431-13-9
Bolling_Point:	459.7ºC at 760 mmHg
MF:	C16H12O3

Molecular_Structure:	['1 . Molar refractive index 7079 ', '2 . Molar volume 1956 ', '3 . Parachor （902K）5273 ', '4 . Surface tension 527 ', '5 . Polarizability 2806 ', '6 . Dielectric constant 未确定']
Flash_Point:	200.6ºC
Refractive_Index:	1.643
FW:	252.26500
Density:	1.289g/cm3
Bolling_Point:	459.7ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :5 ', '6. TPSA 465 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :393 ', '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']
LogP:	3.47400
Melting_Point:	223-228ºC(lit.)
PSA:	50.44000
MF:	C16H12O3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）223-228 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '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']
Exact_Mass:	252.07900