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dimethyl (E)-3-methylpent-2-enedioate

Catalog No: FT-0774109

CAS No: 52313-87-8

Chemical Name: dimethyl (E)-3-methylpent-2-enedioate
Molecular Formula: C8H12O4
Molecular Weight: 172.18
InChI Key: GBQBEQOEGMZCOH-GQCTYLIASA-N
InChI: InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+

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

Bolling_Point:	232.8ºC at 760 mmHg
CAS:	52313-87-8
MF:	C8H12O4
Density:	1.095
Melting_Point:	N/A
Product_Name:	Dimethyl 3-methylpent-2-enedioate
Flash_Point:	96.7ºC
FW:	172.17800

MF:	C8H12O4
Density:	1.095
Computational_Chemistry:	['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 526 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 205 9 . Isotope Atom Count 0 10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 1 ', '14 . Covalently-Bonded Unit Count 1']
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）1095 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）109-110/12mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1456 ', '8 . Flash point（ºC）98 ', '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:	172.07400
Flash_Point:	96.7ºC
PSA:	52.60000
Molecular_Structure:	['1 . Molar refractive index 4256 ', '2 . Molar volume 1609 ', '3 . Parachor （902K）3832 ', '4 . Surface tension 321 ', '5 . Polarizability 1687 ', '6 . Dielectric constant 未确定']
LogP:	0.66880
Bolling_Point:	232.8ºC at 760 mmHg
FW:	172.17800
Refractive_Index:	1.456