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3-Benzoylcoumarin
[CAS# 1846-74-8]

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Achemica Switzerland Inquire  
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Identification
Name 3-Benzoylcoumarin
Synonyms 3-(Oxo-Phenylmethyl)-2-Chromenone; 3-(Benzoyl)Coumarin; 3-Phenylcarbonylchromen-2-One
Molecular Structure CAS#: 1846-74-8, 3-Benzoylcoumarin
Molecular Formula C16H10O3
Molecular Weight 250.25
CAS Registry Number 1846-74-8
SMILES C1=CC3=C(C=C1)C=C(C(=O)C2=CC=CC=C2)C(O3)=O
InChI 1S/C16H10O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-10H
InChIKey LPBMPRKJYKSRLL-UHFFFAOYSA-N
Properties
Density 1.303g/cm3 (Cal.)
Boiling point 447.726°C at 760 mmHg (Cal.)
Flash point 202.015°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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