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79135-88-9

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Basic Information
CAS No.: 79135-88-9
Name: 7,7'-vinylenebis-2-benzopyrone
Molecular Structure:
Molecular Structure of 79135-88-9 (7,7'-vinylenebis-2-benzopyrone)
Formula: C20H12O4
Molecular Weight: 316.30688
Synonyms: 7,7-vinylenebis-2-benzopyrone;7,7-(1,2-Ethenediyl)bis(2H-1-benzopyran-2-one);Einecs 279-089-5
EINECS: 279-089-5
PSA: 60.42000
LogP: 4.06980
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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