Methanone, (4,6-dihydroxy-5-(2-propenyl)-1,3-phenylene)bis(phenyl- (102593-74-8)

The 2-Allyl-4,6-dibenzoylresorcinol with the cas number 102593-74-8, is also called Methanone, (4,6-dihydroxy-5-(2-propenyl)-1,3-phenylene)bis(phenyl-. The IUPAC name is (5-benzoyl-2,4-dihydroxy-3-prop-2-enylphenyl)-phenylmethanone. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Properties Computed from Structure: (1)XLogP3-AA: 6.1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 8; (6)Exact Mass: 358.120509; (7)MonoIsotopic Mass: 358.120509; (8)Topological Polar Surface Area: 74.6; (9)Heavy Atom Count: 27; (10)Formal Charge: 0; (11)Complexity: 489; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O
(2)InChI: InChI=1S/C23H18O4/c1-2-9-17-22(26)18(20(24)15-10-5-3-6-11-15)14-19(23(17)27)21(25)16-12-7-4-8-13-16/h2-8,10-14,26-27H,1,9H2
(3)InChIKey: FSYGSBMXRNPJAD-UHFFFAOYSA-N