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[(1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrile

Catalog No: FT-0690526

CAS No: 39863-94-0

Chemical Name: [(1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrile
Molecular Formula: C10H15NO
Molecular Weight: 165.23 g/mol
InChI Key: VILTYDDIGXXGBZ-UHFFFAOYSA-N
InChI: InChI=1S/C10H15NO/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3

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:	N/A
CAS:	39863-94-0
MF:	C10H17NO
Flash_Point:	118.4ºC
Product_Name:	(1S,3S)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile
Density:	0.962g/cm3
FW:	167.24800
Bolling_Point:	272.2ºC at 760 mmHg

Refractive_Index:	1.451
Flash_Point:	118.4ºC
LogP:	2.54148
Bolling_Point:	272.2ºC at 760 mmHg
FW:	167.24800
PSA:	40.86000
Computational_Chemistry:	['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 409 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 246 ', '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']
MF:	C10H17NO
Exact_Mass:	167.13100
Molecular_Structure:	['1 . Molar refractive index 4621 ', '2 . Molar volume （m3/mol）1715 ', '3 . Parachor （902K）4077 ', '4 . Surface tension 318 ', '5 . Polarizability （10 -24cm 3）1832']
Density:	0.962g/cm3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）096 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure） 111-113/4 mmHg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1463-1465 ', '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']