dimethyl (2E)-2-(be...

dimethyl (2E)-2-(benzo[1,3]dioxol-5-ylmethylidene)butanedioate 5447-44-9

dimethyl (2E)-2-(benzo[1,3]dioxol-5-ylmethylidene)butanedioate 5447-44-9

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

dimethyl (2E)-2-(benzo[1,3]dioxol-5-ylmethylidene)butanedioate 5447-44-9 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:By sea or by air

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Details:

【Name】
dimethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
【Iupac name】
dimethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
【CAS Registry number】
5447-44-9
【Synonyms】
NSC15710
AC1NS5ZO
NSC-15710
dimethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
5447-44-9
【Molecular Formula】
C14H14O6 (Products with the same molecular formula)
【Molecular Weight】
278.2574
【Inchi】
InChI=1/C14H14O6/c1-17-13(15)7-10(14(16)18-2)5-9-3-4-11-12(6-9)20-8-19-11/h3-6H,7-8H2,1-2H3/b10-5+
【Canonical SMILES】
COC(=O)CC(=CC1=CC2=C(C=C1)OCO2)C(=O)OC
【Isomers smiles】
COC(=O)C/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)OC
【MOL File】
5447-44-9.mol
Chemical and Physical Properties
【Density】
1.297g/cm3
【Boiling Point】
418°C at 760 mmHg
【Refractive Index】
1.568
【Flash Point】
186.6°C
【Computed Properties】
Molecular Weight:278.25736 [g/mol]
Molecular Formula:C14H14O6
XLogP3-AA:1.8
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:6
Exact Mass:278.079038
MonoIsotopic Mass:278.079038
Topological Polar Surface Area:71.1
Heavy Atom Count:20
Formal Charge:0
Complexity:403
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:2
Effective Rotor Count:6.6
Conformer Sampling RMSD:0.8
CID Conformer Count:78

 

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