FT-0604726 CAS:137869-70-6 chemical structure

(3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE

Name: (3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
Rating: 4.5 (11 reviews)

Catalog No: FT-0604726

CAS No: 137869-70-6

Molecular Formula: 217.26
Formula Weight: C13H15NO2
Inchl Key: JVEHIYMWPAQEIR-AAEUAGOBSA-N
Inchl: InChI=1S/C13H15NO2/c1-13-8-7-12(15)14(13)11(9-16-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-,13-/m0/s1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	(3r-cis)-7a-methyl-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6h)-one
Flash_Point:	180.3ºC
Melting_Point:	125ºC
FW:	217.26400
Density:	1.21g/cm3
CAS:	137869-70-6
Bolling_Point:	374.5ºC at 760mmHg
MF:	C13H15NO2

Molecular_Structure:	['1 . Molar refractive index 6080 ', '2 . Molar volume （m3/mol）1784 ', '3 . Parachor （902K）4712 ', '4 . Surface tension 486 ', '5 . Polarizability 2410']
Flash_Point:	180.3ºC
Refractive_Index:	1.597
FW:	217.26400
Density:	1.21g/cm3
Bolling_Point:	374.5ºC at 760mmHg
Computational_Chemistry:	['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 295 ', '6 . Heavy Atom Count 16 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 298 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
LogP:	2.03440
Melting_Point:	125ºC
PSA:	29.54000
MF:	C13H15NO2
More_Info:	['1 . Appearance White Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）125 ', '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']
Vapor_Pressure:	8.31E-06mmHg at 25°C
Exact_Mass:	217.11000