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iron(3+) tris(1,3-dioxo-1,3-diphenylpropan-2-ide)

iron(3+) tris(1,3-dioxo-1,3-diphenylpropan-2-ide)

CAS: 14405-49-3

Formula: C45H33FeO6

SMILES: [Fe+3].O=C([CH-]C(=O)C1=CC=CC=C1)C1=CC=CC=C1.O=C([CH-]C(=O)C1=CC=CC=C1)C1=CC=CC=C1.O=C([CH-]C(=O)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: iron(3+) tris(1,3-dioxo-1,3-diphenylpropan-2-ide)

InChI: InChI=1S/3C15H11O2.Fe/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11H;/q3*-1;+3

Composition: C (74.49%), H (4.58%), Fe (7.70%), O (13.23%)

Molar Mass: 725.598

Atom Count: 85

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 725.16265
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BMKQNZSUSKASES-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 65.39
Topological Polar Surface Area 34.14
Polarizability 25.52
Ring Count 6
Rotatable Bond Count 12

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Purity LeadTime CAS UnitPrice
98% <14 Days 14405-49-3 Quote Only