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3-Benzoylbenzo [f] Coumarin
[CAS# 4852-81-7]

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Identification
Name 3-Benzoylbenzo [f] Coumarin
Synonyms 2-(Oxo-Phenylmethyl)-3-Benzo[F]Chromenone; 2-Phenylcarbonylbenzo[F]Chromen-3-One; Zinc00162119
Molecular Structure CAS#: 4852-81-7, 3-Benzoylbenzo [f] Coumarin
Molecular Formula C20H12O3
Molecular Weight 300.31
CAS Registry Number 4852-81-7
SMILES C1=CC=CC2=CC=C4C(=C12)C=C(C(C3=CC=CC=C3)=O)C(O4)=O
InChI 1S/C20H12O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-12H
InChIKey JPPGTVYDWHSNLJ-UHFFFAOYSA-N
Properties
Density 1.328g/cm3 (Cal.)
Boiling point 534.961°C at 760 mmHg (Cal.)
Flash point 239.087°C (Cal.)
References
(1) K. C. Majumdar, Srikanta Samanta, Inul Ansary and B. Roy. An unusual one-pot synthesis of 3-benzoylcoumarins and coumarin-3-carbaldehydes from 2-hydroxybenzaldehydes under esterification conditions, RSC Advances, 2012, 2, 2137.
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