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3-ACETYL-4,5-DIMETHYL-5-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE

Catalog No: FT-0642374

CAS No: 98593-79-4

Chemical Name: 3-ACETYL-4,5-DIMETHYL-5-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
Molecular Formula: C8H11NO3
Molecular Weight: 169.18
InChI Key: DHZJIJWGYQXKFT-UHFFFAOYSA-N
InChI: InChI=1S/C8H11NO3/c1-4-6(5(2)10)7(11)9-8(4,3)12/h12H,1-3H3,(H,9,11)

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:	172-174ºC
CAS:	98593-79-4
MF:	C8H11NO3
Flash_Point:	222.4ºC
Product_Name:	3-acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one
Density:	1.233 g/cm3
FW:	169.17800
Bolling_Point:	444.2ºC at 760 mmHg

Refractive_Index:	1.519
Flash_Point:	222.4ºC
LogP:	0.05900
Bolling_Point:	444.2ºC at 760 mmHg
PSA:	66.40000
Molecular_Structure:	['1 . Molar refractive index 4163 ', '2 . Molar volume （m3/mol）1371 ', '3 . Parachor （902K）3528 ', '4 . Surface tension 437 ', '5 . Polarizability 1650']
Computational_Chemistry:	['1 . XlogP -09 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 664 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 293 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	172-174ºC
MF:	C8H11NO3
Exact_Mass:	169.07400
FW:	169.17800
Density:	1.233 g/cm3
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）172-174 ', '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']