Chemical Name: PHENYLMALONIC ACID MONOBENZYL ESTER
Molecular Formula: C16H14O4
Molecular Weight: 270.28
InChI Key: QSBAHMROFICXDC-UHFFFAOYSA-N
InChI: InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)

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:	64-66°C
CAS:	25774-02-1
MF:	C16H14O4
Flash_Point:	160.2ºC
Product_Name:	phenylmalonic acid monobenzyl ester
Density:	1.258g/cm3
FW:	270.28000
Bolling_Point:	432.1ºC at 760mmHg

Refractive_Index:	1.594
Vapor_Pressure:	3.12E-08mmHg at 25°C
Flash_Point:	160.2ºC
LogP:	2.59820
Bolling_Point:	432.1ºC at 760mmHg
PSA:	63.60000
Molecular_Structure:	['1 . Molar refractive index 7289 ', '2 . Molar volume （m3/mol）2148 ', '3 . Parachor （902K）5807 ', '4 . Surface tension 534 ', '5 . Polarizability （10 -24cm 3）2889']
Computational_Chemistry:	['1 . XlogP 34 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 636 ', '6 重原子数20 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 327 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	64-66°C
MF:	C16H14O4
Exact_Mass:	270.08900
FW:	270.28000
Density:	1.258g/cm3
More_Info:	['1 . Appearance 灰White 粉末 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）63-68 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']