4-benzoyldihydrofur...

4-benzoyldihydrofuran-2,3-dione 5431-88-9

4-benzoyldihydrofuran-2,3-dione 5431-88-9

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  • Min.Order :1 Gram
  • Purity: 99%
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4-benzoyloxolane-2,3-dione 5431-88-9 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
4-benzoyldihydrofuran-2,3-dione
【CAS Registry number】
5431-88-9
【Synonyms】
4-benzoyldihydrofuran-2,3-dione
NSC13651
AC1L5DL1
AC1Q6MO8
4-benzoyloxolane-2,3-dione
AR-1G1062
NSC-13651
【Molecular Formula】
C11H8O4 (Products with the same molecular formula)
【Molecular Weight】
204.1788
【Inchi】
InChI=1/C11H8O4/c12-9(7-4-2-1-3-5-7)8-6-15-11(14)10(8)13/h1-5,8H,6H2
【Canonical SMILES】
C1C(C(=O)C(=O)O1)C(=O)C2=CC=CC=C2
【MOL File】
5431-88-9.mol
Chemical and Physical Properties
【Density】
1.363g/cm3
【Boiling Point】
443.5°C at 760 mmHg
【Refractive Index】
1.581
【Flash Point】
203.7°C
【Computed Properties】
Molecular Weight:204.17882 [g/mol]
Molecular Formula:C11H8O4
XLogP3-AA:1.3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:204.042259
MonoIsotopic Mass:204.042259
Topological Polar Surface Area:60.4
Heavy Atom Count:15
Formal Charge:0
Complexity:302
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:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2.6
Conformer Sampling RMSD:0.6
CID Conformer Count:19

 

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