2,2,3,3-tetramethox...

2,2,3,3-tetramethoxy-4-methyl-cyclobutane-1,1-dicarbonitrile(CAS No. 56069-49-9)

2,2,3,3-tetramethoxy-4-methyl-cyclobutane-1,1-dicarbonitrile(CAS No. 56069-49-9)

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2,2,3,3-tetramethoxy-4-methyl-cyclobutane-1,1-dicarbonitrile 2,2,3,3-tetramethoxy-4-methyl-cyclobutane-1,1-dicarbonitrile(CAS No. 56069-49-9) 56069-49-9

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
2,2,3,3-tetramethoxy-4-methyl-cyclobutane-1,1-dicarbonitrile
【Iupac name】
2,2,3,3-tetramethoxy-4-methylcyclobutane-1,1-dicarbonitrile
【CAS Registry number】
56069-49-9
【Synonyms】
1,1-cyclobutanedicarbonitrile, 2,2,3,3-tetramethoxy-4-methyl-
2,2,3,3-Tetramethoxy-4-methylcyclobutane-1,1-dicarbonitrile
【Molecular Formula】
C11H16N2O4 (Products with the same molecular formula)
【Molecular Weight】
240.2557
【Inchi】
InChI=1/C11H16N2O4/c1-8-9(6-12,7-13)11(16-4,17-5)10(8,14-2)15-3/h8H,1-5H3
【Canonical SMILES】
CC1C(C(C1(OC)OC)(OC)OC)(C#N)C#N
Chemical and Physical Properties
【Density】
1.16g/cm3
【Boiling Point】
350.3°C at 760 mmHg
【Refractive Index】
1.472
【Flash Point】
138.8°C
【Computed Properties】
Molecular Weight:240.25574 [g/mol]
Molecular Formula:C11H16N2O4
XLogP3-AA:-0.3
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:4
Exact Mass:240.111007
MonoIsotopic Mass:240.111007
Topological Polar Surface Area:84.5
Heavy Atom Count:17
Formal Charge:0
Complexity:378
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Ring Count:1
Effective Rotor Count:4.8
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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