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7,7-Vinylenebis-2-benzopyrone

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  • Name 7,7-Vinylenebis-2-benzopyrone
  • EINECS279-089-5
  • CAS No. 79135-88-9
  • DensityN/A
  • PSA60.42000
  • LogP4.06980
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC20H12O4
  • Boiling PointN/A
  • Molecular Weight316.30688
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 79135-88-9 (7,7'-vinylenebis-2-benzopyrone)
  • Hazard SymbolsN/A
  • SynonymsN/A

7,7-Vinylenebis-2-benzopyrone Specification

The 7,7-Vinylenebis-2-benzopyrone is an organic compound with the formula C20H12O4. The IUPAC name of this chemical is 7-[(E)-2-(2-oxochromen-7-yl)ethenyl]chromen-2-one. With the CAS registry number 79135-88-9, it is also named as 7,7'-(1,2-Ethenediyl)bis(2H-1-benzopyran-2-one).

Physical properties about 7,7-Vinylenebis-2-benzopyrone are: (1)XLogP3-AA: 4.2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 316.073559; (5)MonoIsotopic Mass: 316.073559; (6)Topological Polar Surface Area: 52.6; (7)Heavy Atom Count: 24; (8)Complexity: 551; (9)Defined Bond StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 1; (11)Feature 3D Acceptor Count: 2; (12)Feature 3D Ring Count :4; (13)Effective Rotor Count: 2; (14)Conformer Sampling RMSD: 0.6; (15)CID Conformer Count: 5.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)C=CC3=CC4=C(C=C3)C=CC(=O)O4
(2)Isomeric SMILES: C1=CC(=CC2=C1C=CC(=O)O2)/C=C/C3=CC4=C(C=C3)C=CC(=O)O4
(3)InChI: InChI=1S/C20H12O4/c21-19-9-7-15-5-3-13(11-17(15)23-19)1-2-14-4-6-16-8-
(4)10-20(22)24-18(16)12-14/h1-12H/b2-1+
(5)InChIKey: YYGLUBNQTUJNTP-OWOJBTEDSA-N

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